J. S. Francisco

发表

Rational Design of Flexible Two-Dimensional MXenes with Multiple Functionalities.

Ning Wang, Timothy C Germann, Chen Si, 2019, Chemical reviews.

Chemical kinetics and dynamics

William L. Hase, Jeffrey I. Steinfeld, Joseph S. Francisco, 1989 .

A Singlet Thiophosphoryl Nitrene and Its Interconversion with Thiazyl and Thionitroso Isomers.

J. S. Francisco, Dingqing Li, Xiaoqing Zeng, 2015, Journal of the American Chemical Society.

Decomposition Pathways of Peroxynitrous Acid: Gas-Phase and Solution Energetics

C. Zhan, D. Dixon, J. S. Francisco, 2002 .

Cavity Ringdown Spectroscopy of cis-cis HOONO and the HOONO/HONO2 Branching Ratio in the Reaction OH + NO2 + M

Andrew K. Mollner, S. Sander, J. S. Francisco, 2003 .

Three-dimensional model evaluation of the Ozone Depletion Potentials for n-propyl bromide, trichloroethylene and perchloroethylene

D. Wuebbles, J. S. Francisco, D. Youn, 2010 .

Dissociation dynamics of CF3C(O)X compounds (where X = H, F and Cl)

J. S. Francisco, 1992 .

Photochemistry of NH2NO2 and implications for chemistry in the atmosphere.

V. J. Esposito, J. S. Francisco, T. Trabelsi, 2021, The Journal of chemical physics.

The Stability of α-Hydroperoxyalkyl Radicals.

R. Crehuet, J. S. Francisco, J. Anglada, 2016, Chemistry.

Probing the radical and base dual properties of peptide sulfinyl radicals via mass spectrometry.

F. Tureček, J. S. Francisco, Yu Xia, 2014, The journal of physical chemistry. A.

BOND DISSOCIATION ENERGIES AND HEATS OF FORMATION FOR FLUORINATED ETHERS :E143A (CH3OCF3), E134 (CHF2OCHF2), AND E125 (CF3OCHF2)

J. S. Francisco, D. A. Good, 1998 .

New Insights into Martian Atmospheric Chemistry

R. Shia, Y. Yung, J. S. Francisco, 2014 .

Intrinsic Structural, Electrical, Thermal, and Mechanical Properties of the Promising Conductor Mo2C MXene

Jian He, Kan Luo, Qing Huang, 2016 .

Promising electron mobility and high thermal conductivity in Sc2CT2 (T = F, OH) MXenes.

Kan Luo, Qing Huang, Jian He, 2016, Nanoscale.

Spectroscopic Identification of H2 NSO and syn- and anti-HNSOH Radicals.

J. S. Francisco, Xiaoqing Zeng, Zhuang Wu, 2018, Angewandte Chemie.

An examination of the heats of formation for formyl and fluoroformyl radicals calculated by ab initio molecular orbital methods

J. S. Francisco, Yao Zhao, 1990 .

High level ab initio studies on the excited states of HOCO radical

J. S. Francisco, Yumin Li, 2000 .

Heats of Formation of CBr, CHBr, and CBr2 from Ab Initio Quantum Chemistry

W. A. Jong, D. Dixon, J. S. Francisco, 2002 .

Spectroscopic investigation of [Al,N,C,O] refractory molecules.

Megan C. Davis, J. S. Francisco, T. Trabelsi, 2019, The Journal of chemical physics.

Water Catalysis of a Radical-Molecule Gas-Phase Reaction

B. Hansmann, B. Abel, J. S. Francisco, 2007, Science.

Uptake of the HO2 radical by water: Molecular dynamics calculations and their implications for atmospheric modeling

J. S. Francisco, A. Morita, Y. Kanaya, 2004 .

Reaction of OH radicals with CH3C(O)H and CF3C(O)H

J. S. Francisco, 1992 .

Open-shell pair interaction energy decomposition analysis (PIEDA): formulation and application to the hydrogen abstraction in tripeptides.

K. Kitaura, L. Slipchenko, J. S. Francisco, 2013, The Journal of chemical physics.

Two-dimensional dry ices with rich polymorphic and polyamorphic phase behavior

J. S. Francisco, X. Zeng, J. Bai, 2018, Proceedings of the National Academy of Sciences.

Climate Metrics for C1-C4 Hydrofluorocarbons (HFCs).

Timothy J. Lee, J. S. Francisco, J. Burkholder, 2020, The journal of physical chemistry. A.

Spectroscopy and characterization of AlNX (X = O and S): Triatomic circumstellar molecules.

J. S. Francisco, M. Hochlaf, T. Trabelsi, 2019, The Journal of chemical physics.

Spectroscopy and Stability of AlOP: A Possible Progenitor of Interstellar Metal.

J. S. Francisco, M. Hochlaf, T. Trabelsi, 2018, The journal of physical chemistry. A.

Electronic and spectroscopic characterizations of SNP isomers.

J. S. Francisco, M. Hochlaf, T. Trabelsi, 2018, The Journal of chemical physics.

Is AlOH the Astrochemical Reservoir Molecule of AlO?: Insights from Excited Electronic States

J. S. Francisco, T. Trabelsi, 2018, The Astrophysical Journal.

Toward the detection of the triatomic negative ion SPN-: Spectroscopy and potential energy surfaces.

J. S. Francisco, M. Hochlaf, T. Trabelsi, 2018, The Journal of chemical physics.

Mechanistic study of the photoexcitation, photoconversion, and photodissociation of CS2.

J. S. Francisco, M. Hochlaf, M. M. Al-Mogren, 2018, The Journal of chemical physics.

Rotational (de-)excitation of NS+(X1Σ+) by collision with He at low temperature

J. S. Francisco, M. Hochlaf, T. Trabelsi, 2018, Monthly Notices of the Royal Astronomical Society.

Substituent effects on the spectroscopic properties of Criegee intermediates.

Manoj Kumar, J. S. Francisco, T. Trabelsi, 2017, The Journal of chemical physics.

Anharmonic Frequencies and Spectroscopic Constants of OAlOH and AlOH: Strong Bonding but Unhindered Motion.

J. S. Francisco, T. Trabelsi, R. Fortenberry, 2020, The journal of physical chemistry. A.

Effects of a single water molecule on the OH + H2O2 reaction.

J. S. Francisco, J. Anglada, R. Buszek, 2012, The journal of physical chemistry. A.

Global analysis of peroxy radicals and peroxy radical-water complexation using the STOCHEM-CRI global chemistry and transport model

R. Derwent, A. Archibald, C. Percival, 2015 .

Existence of a Hydroperoxy and Water (HO2‚H2O) Radical Complex

J. S. Francisco, S. Aloisio, 1998 .

On the interactions between atmospheric radicals and cloud droplets: A molecular picture of the interface

S. Kais, J. S. Francisco, Q. Shi, 2003, Proceedings of the National Academy of Sciences of the United States of America.

Atmospheric Chemistry of Organic Halides

J. S. Francisco, I. Williams, I. H. Williams, 2009 .

HNO3-NHx, H2SO4-NHx, CH(O)OH-NHx, and CH3C(O)OH-NHx complexes and their role in the formation of condensation nuclei.

J. S. Francisco, J. Hansen, S. Kumbhani, 2011, The Journal of chemical physics.

Radical hydrogen bonding: origin of stability of radical-molecule complexes.

F. Weinhold, J. S. Francisco, H. Hernández-Soto, 2007, Journal of Chemical Physics.

Dissociation pathways of carbonyl halides

Zhuangjie Li, J. S. Francisco, 1989 .

Water effects on atmospheric reactions

J. S. Francisco, J. Anglada, R. Buszek, 2011 .

A complete active space self-consistent field multireference configuration interaction study of the low-lying excited states of BrO

J. S. Francisco, K. Peterson, Yumin Li, 2000 .

Exploring the OH+CO→H+CO2 potential surface via dissociative photodetachment of (HOCO)−

J. S. Francisco, R. Continetti, T. Clements, 2002 .

Low-lying excited states of HO2–HONO, HO2–HONO2, and HO2–HO2NO2 complexes

J. S. Francisco, Yumin Li, 2001 .

An ab initio study of the structure and stability of Cl− · HOCl anionic complex

J. S. Francisco, 1996 .

Ab Initio Characterization of the Structure, Vibrational, and Energetic Properties of Br-·HOCl, Cl-·HOBr, and Br-·HOBr Anionic Complexes

J. S. Francisco, B. Flowers, 2001 .

Role of Double Hydrogen Atom Transfer Reactions in Atmospheric Chemistry.

Manoj Kumar, J. S. Francisco, A. Sinha, 2016, Accounts of chemical research.

A computer model study of multiphase chemistry in the Arctic boundary layer during polar sunrise

Brian A. Michalowski, P. Shepson, L. Barrie, 2000 .

Unexpected quenching effect on new particle formation from the atmospheric reaction of methanol with SO3

J. S. Francisco, H. Vehkamäki, T. Kurtén, 2019, Proceedings of the National Academy of Sciences.

A mass spectrometric approach for probing the stability of bioorganic radicals.

J. S. Francisco, Yu Xia, L. Tan, 2014, Angewandte Chemie.

The Role of Catalysis in Alkanediol Decomposition: Implications for General Detection of Alkanediols and Their Formation in the Atmosphere.

Manoj Kumar, J. S. Francisco, 2015, The journal of physical chemistry. A.

Gas phase hydrolysis of formaldehyde to form methanediol: impact of formic acid catalysis.

Montu K. Hazra, J. S. Francisco, A. Sinha, 2013, The journal of physical chemistry. A.

Reaction pathways for gas-phase hydrolysis of formyl compounds HXCO (X = H, F, and Cl)

J. S. Francisco, I. Williams, 1993 .

Location of the first excited states of fluorinated ethers, E143a (CH3OCF3), E134 (CHF2OCHF2), and E125 (CHF2OCF3)

J. S. Francisco, D. A. Good, Yumin Li, 1999 .

Room temperature electrofreezing of water yields a missing dense ice phase in the phase diagram

Jinlong Yang, Jijun Zhao, Honghui Wu, 2019, Nature Communications.

Astrochemical Significance of the P + SO Reaction: Spectroscopic Characterization of SPO, PSO, and SOP Isomers

J. S. Francisco, J. Plane, T. Trabelsi, 2021 .

Water effect on the OH + HCl reaction.

J. Barker, J. S. Francisco, R. Buszek, 2012, The journal of physical chemistry. A.

The atmospheric oxidation of CH3OOH by the OH radical: the effect of water vapor.

R. Crehuet, J. S. Francisco, M. Ruiz‐López, 2017, Physical chemistry chemical physics : PCCP.

Impacts of cloud water droplets on the OH production rate from peroxide photolysis.

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2017, Physical chemistry chemical physics : PCCP.

Effects of Different Surface Functionalization and Doping on the Electronic Transport Properties of M2CTx–M2CO2 Heterojunction Devices

S. Du, Qing Huang, J. S. Francisco, 2018, The Journal of Physical Chemistry C.

Dimethyl ether oxidation at elevated temperatures (295-600 K).

J. S. Francisco, J. Szente, M. Maricq, 2005, The journal of physical chemistry. A.

Unraveling a New Chemical Mechanism of Missing Sulfate Formation in Aerosol Haze : Gaseous NO2 with aqueous HSO3-/SO32.

Jinrong Yang, Yi Gao, J. S. Francisco, 2019, Journal of the American Chemical Society.

Stabilization and strengthening effects of functional groups in two-dimensional titanium carbide

T. Lookman, T. Germann, Ruifeng Zhang, 2016 .

TiO2 Photocatalytic Degradation of Dichloromethane: An FTIR and Solid-State NMR Study

D. Raftery, J. S. Francisco, Matthew L. Miller, 2004 .

Spectral Signatures of Hydrogen Thioperoxide (HOSH) and Hydrogen Persulfide (HSSH): Possible Molecular Sulfur Sinks in the Dense ISM

J. S. Francisco, R. Fortenberry, C. Z. Palmer, 2022, Molecules.

Computationally Efficient Methodology to Calculate C−H and C−X (X = F, Cl, and Br) Bond Dissociation Energies in Haloalkanes

J. S. Francisco, S. North, W. S. McGivern, 2000 .

Catalytic and autocatalytic chemical processes in the atmosphere

J. S. Francisco, J. Zhong, 2020 .

Adsorption and isomerization of glyoxal and methylglyoxal at the air/hydroxylated silica surface.

M. Carignano, J. S. Francisco, I. Gladich, 2020, The Journal of chemical physics.

The first steps of iodine gas-to-particle conversion as seen in the lab: constraints on the role of iodine oxides and oxyacids

M. Kumar, J. S. Francisco, J. Plane, 2020 .

Oxygenate-Induced Tuning of Aldehyde-Amine Reactivity and Its Atmospheric Implications.

Manoj Kumar, J. S. Francisco, A. Sinha, 2017, The journal of physical chemistry. A.

Photodissociation mechanisms of major Hg(II) species in the atmospheric chemical cycle of mercury.

D. Roca‐Sanjuán, J. S. Francisco, J. Dávalos, 2019, Angewandte Chemie.

Radical-induced core destruction of monolayer-protected metal clusters

T. Pradeep, J. S. Francisco, N. Sandhyarani, 2001 .

Interconnection of reactive oxygen species chemistry across the interfaces of atmospheric, environmental, and biological processes.

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2015, Accounts of chemical research.

Hydrolysis of ketene catalyzed by formic acid: modification of reaction mechanism, energetics, and kinetics with organic acid catalysis.

S. Klippenstein, J. S. Francisco, A. Sinha, 2015, The journal of physical chemistry. A.

Photoinduced oxidation reactions at the air-water interface.

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2020, Journal of the American Chemical Society.

Protonation of water clusters induced by hydroperoxyl radical surface adsorption.

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2011, Chemistry.

Dissociation Pathways of Peroxyacetyl Nitrate (PAN)

J. S. Francisco, C. E. Miller, and Julia I. Lynton, 1999 .

Heteroatom Tuning of Bimolecular Criegee Reactions and Its Implications.

Manoj Kumar, J. S. Francisco, 2016, Angewandte Chemie.

Mechanistic study of the aqueous reaction of organic peroxides with HSO3- on the surface of a water droplet.

Hong S. He, Q. Ma, J. S. Francisco, 2021, Angewandte Chemie.

Mechanistic Study of the Aqueous Reaction of Organic Peroxides with HSO 3 − on the Surface of a Water Droplet

Hong S. He, Q. Ma, J. S. Francisco, 2021, Angewandte Chemie.

Dissociation dynamics of FC(O)O and ClC(O)O radicals

J. S. Francisco, A. Goldstein, 1988 .

Ab initio studies of dissociation pathways on the ground state potential energy surface for HFCO and HClCO

J. S. Francisco, Yao Zhao, 1992 .

Atmospheric oxidation pathways of propane and its by‐products: Acetone, acetaldehyde, and propionaldehyde

J. S. Francisco, C. Rosado-Reyes, 2007 .

An ab initio investigation of the ground and low-lying singlet and triplet electronic states of XNO2 and XONO (X = Cl, Br, and I).

J. S. Francisco, K. Peterson, 2014, The Journal of chemical physics.

Kinetics and Mechanism of the Acetylperoxy + HO2 Reaction

T. Wallington, J. S. Francisco, J. Szente, 1999 .

Specific inter-domain interactions stabilize a compact HIV-1 Gag conformation

R. Bruinsma, I. Rouzina, J. S. Francisco, 2019, PloS one.

Water transport through subnanopores in the ultimate size limit: Mechanism from molecular dynamics

J. S. Francisco, S. Meng, X. Zeng, 2018, Nano Research.

Characterizing hydrophobicity of amino acid side chains in a protein environment via measuring contact angle of a water nanodroplet on planar peptide network

J. S. Francisco, S. Meng, Lei Li, 2016, Proceedings of the National Academy of Sciences.

Experimental and computational investigation of vinoxy and 1-methylvinoxy radicals from the unimolecular decay of alkyl-substituted Criegee intermediates

Victoria P. Barber, J. S. Francisco, M. Lester, 2020 .

How Does the Central Atom Substitution Impact the Properties of a Criegee Intermediate? Insights from Multireference Calculations.

Manoj Kumar, J. S. Francisco, T. Trabelsi, 2017, Journal of the American Chemical Society.

Surprising Stability of Larger Criegee Intermediates on Aqueous Interfaces.

Manoj Kumar, J. S. Francisco, X. Zeng, 2017, Angewandte Chemie.

An experimental and theoretical study of the reactions OIO+NO and OIO+OH.

J. S. Francisco, J. Plane, S. Ashworth, 2006, The journal of physical chemistry. A.

Thermal decomposition of peroxy acetyl nitrate CH3C(O)OONO2.

J. S. Francisco, H. Willner, S. von Ahsen, 2004, The Journal of chemical physics.

Investigation of the atmospheric oxidation pathways of bromoform and dibromomethane: Initiation via UV photolysis and hydrogen abstraction

J. S. Francisco, S. North, W. S. McGivern, 2004 .

The role of triplet states in the long wavelength absorption region of bromine nitrate

C. E. Webster, J. S. Francisco, K. Peterson, 2003 .

Complexes of Hydroperoxyl Radical with Glyoxal, Methylglyoxal, Methylvinyl Ketone, Acrolein, and Methacrolein: Possible New Sinks for HO2 in the Atmosphere?

J. S. Francisco, S. Aloisio, 2003 .

An ab initio study of the pathways for the reaction between CH3O2 and BrO radicals

J. S. Francisco, S. Guha, 2003 .

Potential energy surface for the hydroperoxy and water ( HO 2 · H 2 O ) radical complex

S. Kais, J. S. Francisco, S. D. Belair, 2002 .

A density functional study of structure and heat of formation for Br2O4 and Br2O5

Zhuangjie Li, J. S. Francisco, 2002 .

A study of the kinetics and mechanisms involved in the atmospheric degradation of bromoform by atomic chlorine

J. S. Francisco, J. Hansen, M. Kamboures, 2002 .

Investigation of the Atmospheric Oxidation Pathways of Bromoform: Initiation via OH/Cl Reactions

J. S. Francisco, S. North, W. S. McGivern, 2002 .

NO2 Quantum Yield from the 248 nm Photodissociation of Peroxynitric Acid (H02N02)

S. Sander, J. S. Francisco, C. Roehl, 2001 .

Global warming potential assessment for CF3OCF = CF2

Atul K. Jain, D. Wuebbles, V. Naik, 2000 .

Reaction Rate Constant Determination of Association Reactions Using Theoretical Calculations: A Case Study of the HO2 + NO2 Reaction

J. S. Francisco, S. Aloisio, 2000 .

A Remarkable, Stable Radical–Molecule Complex: HO2⋅CF3C(O)OH

J. S. Francisco, 2000 .

The role of complexes of water and carbonyl containing molecules in the atmosphere

J. S. Francisco, S. Aloisio, 2000 .

Can chlorine anion catalyze the reaction of HOC1 with HCI

K. Morokuma, J. S. Francisco, A. Mebel, 1999 .

Complete active space self-consistent field and multireference configuration interaction studies of the differences between the low-lying excited states of HO2 and HO2–H2O

J. S. Francisco, Yumin Li, S. Aloisio, 1999 .

Molecular structure and energetics of sym-ClO3

J. S. Francisco, Margaret A. Workman, 1997 .

Kinetics of the Reaction between Cyclopentylperoxy Radicals and HO2

J. S. Francisco, J. Szente, M. Maricq, 1997 .

CAN CHLORINE ANION CATALYZE THE REACTION OF HOCL WITH HCL

K. Morokuma, J. S. Francisco, A. Mebel, 1997 .

Pressure Dependence and Metastable State Formation in the Photolysis of Dichlorine Monoxide (Cl2O)

S. Sander, J. S. Francisco, I. Williams, 1996 .

The reaction of FO with HO2: An examination of the coupling of FOOx species with the HOx cycle

J. S. Francisco, 1992 .

Mechanistic Insight into the Reaction of Organic Acids with SO3 at the Air-Water Interface.

M. Kumar, Manoj Kumar, J. S. Francisco, 2019, Angewandte Chemie.

Mechanistic Insight into the Reaction of Organic Acids with SO3 at the Air-Water Interface.

Manoj Kumar, J. S. Francisco, X. Zeng, 2019, Angewandte Chemie.

The Aqueous Surface as an Efficient Transient Stop for the Reactivity of Gaseous NO2 in Liquid Water.

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2020, Journal of the American Chemical Society.

Experimental Evidence for the Existence of the HO 2 -H 2 O Complex

J. S. Francisco, R. Friedl, S. Aloisio, 2000 .

Structure and vibrational spectra of bromine reservoir species from the atmospheric oxidations of bromoethane and bromopropane

J. S. Francisco, M. Martínez-Avilés, Siyuan Yang, 2008 .

Kinetics and mechanisms of aqueous ozone reactions with bromide, sulfite, hydrogen sulfite, iodide, and nitrite ions.

J. S. Francisco, D. W. Margerum, Q. Liu, 2001, Inorganic chemistry.

The Methylsulfonyloxyl Radical, CH3SO3.

J. S. Francisco, Xiaoqing Zeng, H. Beckers, 2015, Angewandte Chemie.

Das Methylsulfonyloxyl‐Radikal, CH3SO3

J. S. Francisco, Xiaoqing Zeng, H. Beckers, 2015 .

The binding energy and bonding in dialane.

J. S. Francisco, D. Goebbert, P. Wenthold, 2005, Journal of the American Chemical Society.

Oxygen atom exchange in reactions of OH radicals with NO and ClO

J. S. Francisco, 1998 .

Robust sensitizer-assisted platinized titanium dioxide in photocatalytic removal of 4-chlorophenol in water: Light tunable sensitizer

J. S. Francisco, Norman Lu, Chun-Wei Chu, 2018 .

A synergetic stabilization and strengthening strategy for two-dimensional ordered hybrid transition metal carbides.

T. Germann, Ruifeng Zhang, S. Du, 2018, Physical chemistry chemical physics : PCCP.

Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process.

D. Roca‐Sanjuán, J. S. Francisco, J. Dávalos, 2019, Journal of the American Chemical Society.

Electronic structure of NSO(-) and SNO(-) anions: Stability, electron affinity, and spectroscopic properties.

J. S. Francisco, M. Hochlaf, T. Trabelsi, 2015, The Journal of chemical physics.

Theoretical spectroscopic investigations of HNS(q) and HSN(q) (q = 0, +1, -1) in the gas phase.

J. S. Francisco, M. Hochlaf, N. Jaidane, 2014, The Journal of chemical physics.

Ab initio structural and spectroscopic study of HPS(x) and HSP(x) (x = 0,+1,-1) in the gas phase.

J. S. Francisco, M. Hochlaf, R. Linguerri, 2013, The Journal of chemical physics.

Structural and spectroscopic study of the van der Waals complex of CO with HCO+ and the isoelectronic complex of CS with HCS+.

A. Mitrushchenkov, J. S. Francisco, R. Linguerri, 2012, The Journal of chemical physics.

An ab initio study of the low-lying electronic states of S3.

J. S. Francisco, K. Peterson, J. Lyons, 2006, The Journal of chemical physics.

Structural and spectral consequences of ion-pairing. VI. BO−2Li+ and BO−2Na+

J. S. Francisco, I. Williams, 1992 .

Theoretical Characterization of FOOCl: Implications for the Atmospheric Chemistry between FOOx and ClOx Species

J. S. Francisco, 1994 .

Insight into Chemistry on Cloud/Aerosol Water Surfaces.

Manoj Kumar, J. S. Francisco, X. Zeng, 2018, Accounts of chemical research.

Heat of formation of CH3OCH2 radical

J. S. Francisco, D. A. Good, 1997 .

A computational evaluation of the structure and heat of formation for FOCl and Cl2O

S. Sander, J. S. Francisco, 1994 .

Ab initio calculation of the heats of formation of CF3OH and CF2O

J. Montgomery, J. S. Francisco, H. Michels, 1994 .

An improved estimate of the heat of formation of HOOF

J. S. Francisco, 1993 .

Theoretical studies of the structure and thermochemistry of FO2 radical: Comparison of Mo/ller–Plesset perturbation, complete‐active‐space self‐consistent‐field, and quadratic configuration interaction methods

W. Lester, J. S. Francisco, I. Williams, 1992 .

Dipole surface and infrared intensities for the cis- and trans-HOCO and DOCO radicals.

T. Crawford, Timothy J. Lee, J. Bowman, 2013, The journal of physical chemistry. A.

Quantum force molecular dynamics study of the reaction of O atoms with HOCO.

J. S. Francisco, J. Muckerman, Hua-Gen Yu, 2007, The Journal of chemical physics.

Computational study of hydrogen-bonded complexes of HOCO with acids: HOCO⋯HCOOH, HOCO⋯H2SO4, and HOCO⋯H2CO3.

Montu K. Hazra, J. S. Francisco, A. Sinha, 2012, The Journal of chemical physics.

An ab initio study of the competing reaction channels in the reaction of HOCO radicals with NO and O2.

J. S. Francisco, G. Poggi, 2004, The Journal of chemical physics.

The thermal and electrical properties of the promising semiconductor MXene Hf2CO2

S. Du, Jian He, Heming He, 2015, Scientific Reports.

Photodissociation of carbonic dibromide at 267 nm: Observation of three-body dissociation and molecular elimination of Br2

W. Jackson, J. S. Francisco, Jianhua Huang, 2002 .

Ultraviolet photodissociation of bromoform at 234 and 267 nm by means of ion velocity imaging

W. Jackson, J. S. Francisco, Jianhua Huang, 2002 .

An ab initio study of the hydrogen abstraction reaction of methane by bromine atoms and bromine monoxide radicals

J. S. Francisco, S. Guha, 2001 .

The isomerization of HOOBr to HOBrO

J. S. Francisco, S. Guha, 2000 .

A theoretical study of the isomerization pathways for HBrO2 isomers

J. S. Francisco, S. Guha, 1999 .

High-level Ab Initio Studies of the Spectroscopic Properties of Triatomic [Al, S, O]x (x = 0, +1) and Its Potential for Detection in Space

J. S. Francisco, T. Trabelsi, V. Esposito, 2020, The Astrophysical Journal.

Molecular oxygen generation from the reaction of water cations with oxygen atoms.

J. S. Francisco, T. Trabelsi, R. Fortenberry, 2019, The Journal of chemical physics.

On the role of HNS and HSN as light-sensitive NO-donors for delivery in biological media.

J. S. Francisco, M. Hochlaf, N. Jaidane, 2015, The Journal of chemical physics.

Characterization and reactivity of the weakly bound complexes of the [H, N, S](-) anionic system with astrophysical and biological implications.

J. S. Francisco, M. Hochlaf, N. Jaidane, 2015, The Journal of chemical physics.

Neutron Diffraction Study of Significant sp3 and sp2 C-H Bond Shortening in a Fluorinated Pyridinium Saccharinate.

J. S. Francisco, Norman Lu, T. Trabelsi, 2021, Journal of the American Chemical Society.

Energetics for the reaction of CBr2O with water

J. S. Francisco, 2002 .

The photochemistry of acetone in the presence of water

J. S. Francisco, S. Aloisio, 2000 .

Red-Light-Induced Decomposition of an Organic Peroxy Radical: A New Source of the HO2 Radical.

Manoj Kumar, J. S. Francisco, 2015, Angewandte Chemie.

MRD-CI study of the photodissociative behavior of HOOOCl, a molecule relevant to atmospheric chemistry.

J. S. Francisco, S. Peyerimhoff, M. Schnell, 2005, Physical chemistry chemical physics : PCCP.

Infrared and ultraviolet spectroscopic characterization of trifluoroacetaldehyde

J. S. Francisco, I. Williams, 1992 .

The structure and dissociation energetics of low-lying states of the chloroformyl radical, ClCO

J. S. Francisco, A. Goldstein, 1988 .

Spectroscopic identification and stability of the intermediate in the OH + HONO2 reaction

Eunice X. J. Li, J. S. Francisco, M. Lester, 2008, Proceedings of the National Academy of Sciences.

Rotational (de-)excitation of HNS by He: three-dimensional potential energy surface and collision rate coefficients

J. S. Francisco, M. Hochlaf, M. M. Al-Mogren, 2016 .

Role of an Ice Surface in the Photoreaction of Coumarins.

J. S. Francisco, Shizhong Zhang, Jianjun Wang, 2022, Langmuir : the ACS journal of surfaces and colloids.

Photochemistry of OPN: Formation of Cyclic PON and Reversible Combination with Carbon Monoxide.

J. S. Francisco, Xiaoqing Zeng, Zhuang Wu, 2018, Chemistry.

The mechanism of the CH3O+CO reaction and the stability of the CH3OCO radical

J. S. Francisco, 1998 .

Atmospheric oxidation mechanism of hydroxymethyl hydroperoxide.

W. Eisfeld, J. S. Francisco, 2009, The journal of physical chemistry. A.

An ab initio study of the reaction of HOCO radicals with NO2: addition/elimination mechanism.

J. S. Francisco, G. Poggi, 2009, The Journal of chemical physics.

Photochemistry from low-lying states of HOSO.

J. S. Francisco, T. Trabelsi, Natasa Rohacs, 2020, The Journal of chemical physics.

Protonation study of peroxynitric acid and peroxynitrous acid.

J. S. Francisco, Randy L Santiano, Randy L. Santiano, 2004, The Journal of chemical physics.

Ab initio and direct dynamics study of the reaction of Cl atoms with HOCO.

J. S. Francisco, J. Muckerman, Hua-Gen Yu, 2008, The Journal of chemical physics.

CASSCF and MRCI studies of the electronic excited states of CH2Cl and CH2Br

J. S. Francisco, Yumin Li, 2001 .

CASSCF and MRCI studies on the electronic excited states of CHBrO, CClBrO, and CBr2O

J. S. Francisco, Yumin Li, 2000 .

Evaluating the accuracy of density functional methods for ClOO

J. S. Francisco, T. Dibble, V. Morris, 1996 .

Ab initio studies of the structure and thermochemistry of FO radicals

J. S. Francisco, Yao Zhao, 1990 .

Adiabatic ionization potential and electron affinity of formaldehyde

J. S. Francisco, J. Thoman, 1999 .

A theoretical study of the structure and vibrational spectrum of trifluoromethanol

J. S. Francisco, 1984 .

ClClO2 is the most stable isomer of Cl2O2. Accurate coupled cluster energetics and electronic spectra of Cl2O2 isomers.

D. Dixon, M. Nguyen, J. S. Francisco, 2008, The journal of physical chemistry. A.

A coupled-cluster study of the molecular structure, vibrational frequencies, and energetics of COBr+ and BrCO+ cations

J. S. Francisco, B. Flowers, 1999 .

Molecular structure, vibrational frequencies, and energetics of the HOCO+ ion

J. S. Francisco, 1997 .

Structure and thermochemistry of hydrochlorous acid, HOCl

S. Sander, J. S. Francisco, 1993 .

FNO : another challenging molecule for correlation methods

J. S. Francisco, T. Dibble, 1993 .

High level ab initio molecular orbital theory study of the structure, vibrational spectrum, stability, and low-lying excited states of HOONO

J. S. Francisco, Yumin Li, 2000 .

Photodissociation dynamics of ethylsilane: Ab initio and RRKM study

H. Schlegel, J. S. Francisco, 1988 .

Effect of Irradiation Sources and Oxygen Concentration on the Photocatalytic Oxidation of 2-Propanol and Acetone Studied by in Situ FTIR

D. Raftery, J. S. Francisco, Weizong Xu, 2003 .

An examination of pathways for the reaction of oxygen atoms with CF3O radicals. Implications for the role of CF3 radicals in stratospheric chemical processes

Zhuangjie Li, J. S. Francisco, 1993 .

Laser-induced fluorescence spectroscopic study of the Ã2A1X̃ 2E transition of trifluoromethoxy radical

Zhuangjie Li, J. S. Francisco, 1991 .

On the mechanism for the reaction of fluoroformyl radicals radicals with NO: a theoretical study

Ruifeng Liu, J. S. Francisco, 1999 .

Ab initio investigation of the decomposition of trifluoromethanol into carbonyl fluoride and hydrogen fluoride

J. S. Francisco, 1994 .

Laser-induced fluorescence spectroscopy of the trifluoroacetyl radical CF3CO

J. S. Francisco, Z. Li, 1993 .

Atmospheric oxidation of peroxyacetic acid.

J. S. Francisco, H. Rypkema, 2013, The journal of physical chemistry. A.

Molecular structure and energetics of BrOx radicals (where x=1, 2, and 3)

J. S. Francisco, Margaret A. Workman, 1998 .

An experimental and computational study of the methyl formate radical ultraviolet spectrum

J. S. Francisco, J. Szente, J. Hansen, 2000 .

Two-step reaction mechanism reveals new antioxidant capability of cysteine disulfides against hydroxyl radical attack

R. Crehuet, J. S. Francisco, Yu Xia, 2020, Proceedings of the National Academy of Sciences.

The isomerization of methoxy radical: intramolecular hydrogen atom transfer mediated through acid catalysis.

J. S. Francisco, A. Sinha, R. Buszek, 2011, Journal of the American Chemical Society.

Ab initio study of the structure, vibrational spectra and binding energy of HClClO and Cl2ClO complexes

J. S. Francisco, S. Aloisio, 1997 .

Complete active space self-consistent field and multireference configuration interaction studies of the low-lying excited states of the ClO–H2O radical complex

J. S. Francisco, Yumin Li, 2001 .

An examination of the heats of formation for CH3CO and CF3CO radicals

J. S. Francisco, N. J. Abersold, 1991 .

Rate measurement of reactions of trifluoromethyl radicals with nitrogen dioxide

Zhuangjie Li, J. S. Francisco, 1989 .

Theoretical characterization of the trifluoromethoxy radical

J. S. Francisco, I. Williams, 1984 .

Infrared photochemistry of cyclobutyl chloride

J. S. Francisco, J. Steinfeld, 1981 .

Gas-Phase Unimolecular Dissociation Reveals Dominant Base Property of Protonated Homocysteine Sulfinyl Radical Ions.

J. S. Francisco, Yu Xia, L. Tan, 2016, Chemistry.

In-Situ Observation of the pH Gradient near the Gas Diffusion Electrode of CO2 Reduction in Alkaline Electrolyte.

Hailiang Wang, Zishan Wu, J. S. Francisco, 2020, Journal of the American Chemical Society.

An ab initio calculation of the energetics for the FO+HCI→HOF+Cl reaction

J. S. Francisco, 1994 .

Formation of porous ice frameworks at room temperature

L. Ojamäe, J. S. Francisco, B. Slater, 2021, Proceedings of the National Academy of Sciences.

Dissociation dynamics of FCO and HCO radicals

J. S. Francisco, I. Williams, A. Goldstein, 1988 .

Structure and Vibrational Spectra of Chlorofluorocarbon Substitutes: An Experimental and ab Initio Study of Fluorinated Ethers CHF2OCF3 (E125), CHF2OCHF2 (E134), and CH3OCF3 (E143A)

J. S. Francisco, D. A. Good, 1998 .

Photochemistry of oxidized Hg(I) and Hg(II) species suggests missing mercury oxidation in the troposphere

D. Jacob, D. Roca‐Sanjuán, J. S. Francisco, 2020, Proceedings of the National Academy of Sciences.

Evidence of the Elusive Gold-Induced Non-Classical Hydrogen Bonding in Aqueous Environments.

Manoj Kumar, J. S. Francisco, 2020, Journal of the American Chemical Society.

Mechanism for Rapid Conversion of Amines to Ammonium Salts at the Air-Particle Interface.

J. S. Francisco, Guiying Li, T. An, 2020, Journal of the American Chemical Society.

Determination of the CC bond dissociation energy in cyanogen

J. S. Francisco, S. L. Richardson, 1995 .

Infrared multiphoton decomposition and energy‐dependent absorption cross sections of chloroethane‐d0, ‐2‐d1, and ‐2,2,2‐d3

J. S. Francisco, J. Steinfeld, Zhu Qingshi, 1983 .

Unraveling sulfur chemistry in interstellar carbon oxide ices

J. S. Francisco, Xiaoqing Zeng, T. Trabelsi, 2022, Nature Communications.

Graph theory for fused cubic clusters of water dodecamer.

S. Kais, J. S. Francisco, Q. Shi, 2005, The journal of physical chemistry. A.

Reactions of Cl atoms with dimethyl sulfide: A theoretical calculation and an experimental study with cavity ring-down spectroscopy

M. Kawasaki, J. S. Francisco, S. Enami, 2004 .

The OBrO C(2A2)←X(2B1) absorption spectrum

S. Sander, J. S. Francisco, C. E. Miller, 1997 .

The proton affinity of HOBr

Timothy J. Lee, J. S. Francisco, 1996 .

Toward the spectroscopic identification of silylvinylidene intermediate

J. S. Francisco, J. McDowell, 1990 .

Coupled Cluster Theory Determination of the Heats of Formation of Combustion-Related Compounds: CO, HCO, CO2, HCO2, HOCO, HC(O)OH, and HC(O)OOH

D. Dixon, J. S. Francisco, D. Feller, 2003 .

Molecular Structure, Vibrational Frequencies, and Energetics of the HCO, HOCO, and HCO2 Anions

D. Dixon, J. S. Francisco, D. Feller, 2003 .

Spectroscopic characterization of the first excited state and photochemistry of the HO3 radical.

J. S. Francisco, T. Trabelsi, 2020, The Journal of chemical physics.

Photochemistry of HOSO radical in the gas phase.

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2019, The Journal of chemical physics.

State-averaged CASSCF and MRCI studies on the ground and low-lying singlet excited states of methylacetylene

J. S. Francisco, Yumin Li, 1999 .

A CASSCF-MRCI study of the electronic excited states of FClO and FOCl

J. S. Francisco, Yumin Li, 1999 .

Infrared photochemistry of bis(trifluoromethyl) peroxide

M. Findeis, J. S. Francisco, J. Steinfeld, 1981 .

Production of hydrogen peroxide enabled by microdroplets

J. S. Francisco, Chongqin Zhu, 2019, Proceedings of the National Academy of Sciences.

Mechanistic Quantification of Thermodynamic Stability and Mechanical Strength for Two-Dimensional Transition-Metal Carbides

T. Germann, Ruifeng Zhang, S. Du, 2018 .

Caged Nitric Oxide-Thiyl Radical Pairs.

P. Schreiner, J. S. Francisco, G. Cui, 2019, Journal of the American Chemical Society.

A comprehensive theoretical examination of primary dissociation pathways of formic acid

J. S. Francisco, 1992 .

Thermodynamic properties of the XO(2), X(2)O, XYO, X(2)O(2), and XYO(2) (X, Y = Cl, Br, and I) isomers.

D. Dixon, M. Nguyen, J. S. Francisco, 2010, The journal of physical chemistry. A.

AB INITIO STUDY OF THE MECHANISM FOR THE REACTION OF CF2 RADICALS WITH OH

Ruifeng Liu, J. S. Francisco, 1998 .

A study of the gas-phase reaction of carbonyl fluoride with water

J. S. Francisco, 1993 .

A study of hydrogen abstraction reactions by halogen atoms with HFCO and HClCO: determination of transition state structures, barrier heights, and vibrational frequencies

J. S. Francisco, N. Mina-Camilde, 1993 .

An examination of the reaction pathways for the recombination of FCO radicals

J. S. Francisco, Yao Zhao, 1992 .

FCO: UV spectrum, self-reaction kinetics and chain reaction with F2

J. S. Francisco, G. Khitrov, J. Szente, 1992 .

An examination of substituent effects on the reaction of OH radicals with HXCO (where X=H, F, and Cl)

J. S. Francisco, 1992 .

An examination of the heats of formation for HFCO and HClCO molecules

J. S. Francisco, Yao Zhao, 1990 .

Theoretical investigation of chlorofluorocarbon degradation processes: structures and energetics of XC(0)0x intermediates (X = F, Cl)

Zhuangjie Li, J. S. Francisco, I. Williams, 1990 .

Energetics of the reactions of FCO with O2 using unrestricted Møller-Plesset perturbation theory with spin annihilation

J. S. Francisco, Yao Zhao, 1988 .

Thermochemistry, structure and reactivity of the trifluoromethoxy radical.

J. S. Francisco, J. Steinfeld, I. Williams, 1986 .

Multiple infrared photon dissociation and kinetics of CF3O radicals

J. S. Francisco, J. Steinfeld, F. Zhang, 1982 .

Unraveling Molecular Mechanism on Dilute Surfactant Solution Controlled Ice Recrystallization.

J. S. Francisco, Lishan Zhao, X. Zeng, 2020, Langmuir : the ACS journal of surfaces and colloids.

Gas-Phase Generation and Decomposition of a Sulfinylnitrene into the Iminyl Radical OSN.

J. S. Francisco, Dingqing Li, Xiaoqing Zeng, 2016, Angewandte Chemie.

Integrating Rh Species with NiFe Layered-Double-Hydroxide for Overall Water Splitting.

Lin Zhou, Y. Lui, Shan Hu, 2019, Nano letters.

Structural and spectral consequences of ion pairing. III. A theoretical study of NO3−Li+ and NO3−Na+

J. S. Francisco, I. Williams, I. H. Williams, 1988 .

Structural and spectral consequences of ion pairing II. a theoretical study of CIO−3Li+ and ClO−3Na+

J. S. Francisco, I. Williams, 1987 .

Molecular reactions at aqueous interfaces

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2020, Nature Reviews Chemistry.

Phenylsulfinyl Radical: Gas-Phase Generation, Photoisomerization, and Oxidation.

P. Schreiner, J. S. Francisco, A. Eckhardt, 2018, Journal of the American Chemical Society.

Relationship between the structure and enantioselectivity in the asymmetric reduction of 2′,6′-disubstituted acetophenones with DIP-ChlorideTM. An ab initio study

P. Ramachandran, J. S. Francisco, H. Brown, 2004 .

Infrared photochemistry of alkyl- and arylsilanes

J. S. Francisco, J. Steinfeld, S. Joyce, 1984 .

Parent Thioketene S-Oxide H2 CCSO: Gas-Phase Generation, Structure, and Bonding Analysis.

G. Frenking, J. S. Francisco, Xiaoqing Zeng, 2017, Chemistry.

Structural and spectral consequences of ion pairing. 4. Theoretical study of alkali metal tetrafluoroborates (M+BF4-; M = lithium, sodium, potassium, and rubidium)

J. S. Francisco, I. Williams, 1990 .

Thermochemical properties of HxNO molecules and ions from ab initio electronic structure theory.

D. Dixon, J. S. Francisco, Y. Alexeev, 2006, The journal of physical chemistry. A.

A theoretical study of the spectroscopic properties of the ground and first excited electronic state of HS2

A. Mitrushchenkov, J. S. Francisco, K. Peterson, 2008 .

Coupled cluster study of the energetic properties of S2x (x=0,+1,1).

D. Dixon, J. S. Francisco, D. Grant, 2007, The Journal of chemical physics.

General-acid-catalyzed reactions of hypochlorous acid and acetyl hypochlorite with chlorite ion.

J. S. Francisco, Z. Jia, D. W. Margerum, 2000, Inorganic chemistry.

Study of electronic structure and dynamics of interacting free radicals influenced by water.

S. Kais, S. Du, J. S. Francisco, 2009, The Journal of chemical physics.

The thermochemistry of polyoxides and polyoxy radicals

J. S. Francisco, I. Williams, I. H. Williams, 1988 .

Communication: Spectroscopic consequences of proton delocalization in OCHCO⁺.

T. Crawford, Timothy J. Lee, J. Bowman, 2015, The Journal of chemical physics.

Single Iridium Atom Doped Ni2P Catalyst for Optimal Oxygen Evolution.

Hua Zhou, Zhenxing Feng, Maoyu Wang, 2021, Journal of the American Chemical Society.

Spectroscopic identification of the •SSNO isomers.

P. Schreiner, Hua Guo, Changjian Xie, 2020, The Journal of chemical physics.

The hypothiocyanite radical OSCN and its isomers.

G. Frenking, J. S. Francisco, Qifan Liu, 2017, Physical chemistry chemical physics : PCCP.

Making Sure That Hydrofluorocarbons Are “Ozone Friendly”

J. S. Francisco, M. Maricq, 1996 .

Heterocumulene Sulfinyl Radical OCNSO.

G. Frenking, J. S. Francisco, Qifan Liu, 2017, Angewandte Chemie.

HOCO radical chemistry.

Hua-Gen Yu, Joseph S. Francisco, J. S. Francisco, 2010, Accounts of chemical research.

Theoretical Studies of the Energetics of Radicals

J. Montgomery, J. S. Francisco, 1996 .

Selectivity in ROS-induced peptide backbone bond cleavage.

Michael R. Jones, J. S. Francisco, M. C. Green, 2014, The journal of physical chemistry. A.

Rapid sulfuric acid–dimethylamine nucleation enhanced by nitric acid in polluted regions

F. Yu, J. S. Francisco, Lin Du, 2021, Proceedings of the National Academy of Sciences.

Electronic structures and mechanical properties of Al(111)/ZrB2(0001) heterojunctions from first-principles calculation

S. Du, Jian He, Y. Qiao, 2015 .

Ion-specific ice recrystallization provides a facile approach for the fabrication of porous materials

Yanlin Song, J. S. Francisco, X. Zeng, 2017, Nature Communications.

Post-Hartree-Fock study on FOCl + and FClO +

J. S. Francisco, 1998 .

Unimolecular Decomposition Pathways of Dimethyl Ether: An ab Initio Study

J. S. Francisco, John J Nash, 1998 .

Triplet state promoted reaction of SO2 with H2O by competition between proton coupled electron transfer (pcet) and hydrogen atom transfer (hat) processes.

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2019, Physical chemistry chemical physics : PCCP.

A theoretical study of the force field for carbon trioxide

J. S. Francisco, I. Williams, I. H. Williams, 1985 .

Multielemental single–atom-thick A layers in nanolaminated V2(Sn, A) C (A = Fe, Co, Ni, Mn) for tailoring magnetic properties

S. Du, Mian Li, Z. Chai, 2019, Proceedings of the National Academy of Sciences.

Identifying Cytosine-Specific Isomers via High-Accuracy Single Photon Ionization.

J. S. Francisco, M. Hochlaf, M. M. Al-Mogren, 2016, Journal of the American Chemical Society.

Two-dimensional semiconducting Lu2CT2 (T = F, OH) MXene with low work function and high carrier mobility.

S. Du, Jian He, Y. Qiao, 2020, Nanoscale.

Bipolar magnetic semiconductors among intermediate states during the conversion from Sc2C(OH)2 to Sc2CO2 MXene.

S. Du, Jian He, Yaqing Zhang, 2018, Nanoscale.

Designing flexible 2D transition metal carbides with strain-controllable lithium storage

T. Germann, Ruifeng Zhang, S. Du, 2017, Proceedings of the National Academy of Sciences.

Controllable magnitude and anisotropy of the electrical conductivity of Hf3C2O2 MXene

S. Du, Jian He, Jie Zhou, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.

Competition of charge- versus radical-directed fragmentation of gas-phase protonated cysteine sulfinyl radicals.

J. S. Francisco, Yu Xia, L. Tan, 2013, Journal of the American Chemical Society.

Spectral marker for Cα damage in beta peptides.

J. S. Francisco, M. C. Green, Sarah Stelzleni, 2013, The journal of physical chemistry. A.

Photodissociation dynamics of CBr4 at 267 nm by means of ion velocity imaging.

W. Jackson, J. S. Francisco, Jianhua Huang, 2006, The Journal of chemical physics.

Energetic Properties and Electronic Structure of [C,N,O,P] and [C,N,S,P] Isomers.

D. Dixon, J. S. Francisco, K. S. Thanthiriwatte, 2017, The journal of physical chemistry. A.

Hydration, Solvation and Isomerization of Methylglyoxal at the Air/Water Interface: New Mechanistic Pathways.

J. S. Francisco, X. Zeng, I. Gladich, 2020, Journal of the American Chemical Society.

Role of Proton Tunneling and Metal-Free Organocatalysis in the Decomposition of Methanediol: A Theoretical Study.

Manoj Kumar, J. S. Francisco, J. Anglada, 2017, The journal of physical chemistry. A.

A theoretical study of the structure and vibrational spectrum of trifluoromethoxide anion

J. S. Francisco, I. Williams, I. H. Williams, 1984 .

Intramolecular hydrogen bonding in malonaldehyde and its radical analogues.

M. Kumar, J. S. Francisco, Chen Lin, 2017, The Journal of chemical physics.

Molecularly Tuning the Radicaloid N-H···O═C Hydrogen Bond.

R. Ley, J. S. Francisco, Norman Lu, 2016, The journal of physical chemistry. A.

Theoretical characterisation of the lowest n→π* electronic state of CF2O. Is it planar or non-planar?

Zhuangjie Li, J. S. Francisco, I. Williams, 1993 .

Theoretical characterization of the trifluoromethyltrioxy radical

J. S. Francisco, 1985 .

Structural and spectral consequences of ion pairing: A theoretical study of CF3O−Li+ and CF3O−Na+

J. S. Francisco, I. Williams, 1985 .

A theoretical study of the structures and vibrational spectra of dioxirane and difluorodioxirane

J. S. Francisco, I. Williams, 1985 .

A theoretical study of the structure and vibrational spectrum of trifluoromethylperoxy radical

J. S. Francisco, 1984 .

Adiabatic electron affinity and ionization potential for BrO radical

Timothy J. Lee, J. S. Francisco, S. Parthiban, 1998 .

Theoretical studies of atmospheric reaction mechanisms in the troposphere.

Luc Vereecken, Joseph S. Francisco, J. S. Francisco, 2012, Chemical Society reviews.

An ab initio study of OCCN and OCCN

Ruifeng Liu, J. S. Francisco, 1997 .

Br2 molecular elimination in photolysis of (COBr)2 at 248 nm by using cavity ring-down absorption spectroscopy: a photodissociation channel being ignored.

J. S. Francisco, H. Fan, Po-Yu Tsai, 2011, The Journal of chemical physics.

Quartic force field predictions of the fundamental vibrational frequencies and spectroscopic constants of the cations HOCO+ and DOCO+.

T. Crawford, Timothy J. Lee, J. S. Francisco, 2012, The Journal of chemical physics.

Accurate ab initio spectroscopic properties of HOPx and HPOx (x=−1,0,+1)

J. S. Francisco, 2003 .

Photodissociation of bromoform cation at 308, 355, and 610 nm by means of time-of-flight mass spectroscopy and ion velocity imaging

W. Jackson, J. S. Francisco, Jianhua Huang, 2003 .

Formation of HONO from the NH3-promoted hydrolysis of NO2 dimers in the atmosphere

Hui Li, Graeme Henkelman, Xiao Cheng Zeng, 2018, Proceedings of the National Academy of Sciences.

Resolving the HONO formation mechanism in the ionosphere via ab initio molecular dynamic simulations

J. S. Francisco, R. He, Lei Li, 2016, Proceedings of the National Academy of Sciences.

PROTONATED HYDROCHLOROUS ACID (HOCLH+) : MOLECULAR STRUCTURE, VIBRATIONAL FREQUENCIES, AND PROTON AFFINITY

S. Sander, J. S. Francisco, 1995 .

A New Mechanism of Acid Rain Generation from HOSO at the Air-Water Interface.

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2019, Journal of the American Chemical Society.

A surface-stabilized ozonide triggers bromide oxidation at the aqueous solution-vapour interface

P. Shepson, Anina Gilgen, J. S. Francisco, 2017, Nature Communications.

Photofragmentation of Acetyl Cyanide at 193 nm

J. S. Francisco, Ronald J. Horwitz, J. Guest, 1997 .

Toward the laboratory identification of the not-so-simple NS2 neutral and anion isomers.

Timothy J. Lee, J. S. Francisco, R. Fortenberry, 2017, The Journal of chemical physics.

A spectroscopic case for SPSi detection: The third-row in a single molecule.

J. S. Francisco, K. Peterson, R. Fortenberry, 2016, The Journal of chemical physics.

The vibrational spectrum of FC(O)O radical: A challenging case for single-reference electron correlation methods

J. S. Francisco, W. Schneider, M. Maricq, 1995 .

Mechanisms for the breakdown of halomethanes through reactions with ground-state cyano radicals.

J. S. Francisco, S. Maeda, M. Lundberg, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

Energetics, structure, and rovibrational spectroscopic properties of the sulfurous anions SNO(-) and OSN(.).

J. S. Francisco, R. Fortenberry, 2015, The Journal of chemical physics.

High-level ab initio studies of the structure, vibrational spectra, and energetics of S3.

J. S. Francisco, I. Williams, J. Lyons, 2005, The Journal of chemical physics.

Theoretical characterization of low-lying electronic states of FCO

M. Robb, J. S. Francisco, I. Williams, 1992 .

HNS(+) and HSN(+) cations: Electronic states, spin-rovibronic spectroscopy with planetary and biological implications.

J. S. Francisco, M. Hochlaf, T. Trabelsi, 2016, The Journal of chemical physics.

Electronic states, conical intersections, and spin-rovibronic spectroscopy of the nitrogen oxide sulfide radical.

J. S. Francisco, M. Hochlaf, O. Yazidi, 2013, The Journal of chemical physics.

Ab initio ro-vibronic spectroscopy of the Π2 PCS radical and Σ+1PCS- anion.

A. Mitrushchenkov, J. S. Francisco, K. Peterson, 2016, The Journal of chemical physics.

Fundamental vibrational frequencies and spectroscopic constants of HOCS+, HSCO+, and isotopologues via quartic force fields.

T. Crawford, Timothy J. Lee, J. S. Francisco, 2012, The journal of physical chemistry. A.

Computational study of the linear proton bound ion-molecule complexes of HCNH+ with HCN and HNC.

J. S. Francisco, W. Klemperer, C. Eric Cotton, 2013, The Journal of chemical physics.

Mechanistic study of the gas-phase decomposition of methyl formate.

J. S. Francisco, 2003, Journal of the American Chemical Society.

Coupled cluster study of the energetic and spectroscopic properties of OPOx (x=O,+1,−1)

J. S. Francisco, 2002 .

Room temperature electrofreezing of water yields a missing dense ice phase in the phase diagram

Jinlong Yang, Jijun Zhao, Honghui Wu, 2019, Nature Communications.

A Computational Study Investigating the Energetics and Kinetics of the HNCO + (CH3)2NH Reaction Catalyzed by a Single Water Molecule.

Manoj Kumar, J. S. Francisco, A. Parandaman, 2017, The journal of physical chemistry. A.

Bridged HPSi and Linear HSiP as Probes of the SiP Radical in Astrophysical/Interstellar Media

J. S. Francisco, R. Fortenberry, 2017 .

A Computational Study of the Reaction of Methyl Formate with ·H and ·CH3 Radicals

J. S. Francisco, D. A. Good, 2002 .

Evidence of low-density and high-density liquid phases and isochore end point for water confined to carbon nanotube

K. Yasuoka, J. S. Francisco, K. Nomura, 2017, Proceedings of the National Academy of Sciences.

High level ab initio molecular orbital study of the structures and vibrational spectra of CHBr+ and CBr+

Zhuangjie Li, J. S. Francisco, 1998 .

Determination of the heats of formation of CCCN and HCCCN

J. S. Francisco, S. L. Richardson, 1994 .

The relaxation of HCN(101) by V-T,R and V-V energy transfer

Ian W. M. Smith, J. S. Francisco, B. Cannon, 1984 .

Temperature-Dependent Rate Coefficients for the Reaction of CH2OO with Hydrogen Sulfide.

Wen Chao, Manoj Kumar, J. S. Francisco, 2017, The journal of physical chemistry. A.

Determination of the rate constant for sulfur recombination by quasiclassical trajectory calculations.

S. Du, J. S. Francisco, B. Shepler, 2008, The Journal of chemical physics.

Hydrogen migrations in alkylcycloalkyl radicals: implications for chain-branching reactions in fuels.

J. S. Francisco, A. Davis, Narin S. Tangprasertchai, 2012, Chemistry.

Ab initio study of key branching reactions in biodiesel and Fischer-Tropsch fuels.

J. S. Francisco, A. Davis, 2011, Journal of the American Chemical Society.

Ab initio study of hydrogen migration across n-alkyl radicals.

J. S. Francisco, A. Davis, 2011, The journal of physical chemistry. A.

Structure and spectroscopic properties of low-lying states of the HOC(O)O radical.

J. S. Francisco, C. Puzzarini, R. Linguerri, 2016, The Journal of chemical physics.

Energetics and kinetics of the reaction of HOCO with hydrogen atoms.

J. S. Francisco, Hua-Gen Yu, 2008, The Journal of chemical physics.

One photon dissociation and multiphoton dissociative ionization of bromochlorodifluoromethane (CF2BrCl) at 267 nm region

W. Jackson, J. S. Francisco, Jianhua Huang, 2003 .

Accurate theoretical study of PS(q) (q = 0,+1,-1) in the gas phase.

J. S. Francisco, M. Hochlaf, S. Ben Yaghlane, 2012, The Journal of chemical physics.

A Possible Progenitor of the Interstellar Sulfide Bond: Rovibrational Characterization of the Hydrogen Disulfide Cation HSSH+

J. S. Francisco, R. Fortenberry, 2018 .

On the Detectability of the HSS, HSO, and HOS Radicals in the Interstellar Medium

J. S. Francisco, R. Fortenberry, 2017 .

A CASSCF–MRCI study on the low-lying excited states of CH3OCl

J. S. Francisco, Yumin Li, 1999 .

Direct observation of silicon (3P) following state‐selected photofragmentation of Ã 1B1 silylene

J. S. Francisco, J. Steinfeld, A. Knight, 1991 .

Dissociation dynamics of low‐lying electronic states of SiH2

J. S. Francisco, J. Thoman, R. Barnes, 1988 .

Spectroscopic characterization of the ethyl radical-water complex.

J. S. Francisco, J. Anglada, A. Laufer, 2016, The Journal of chemical physics.

Radical-water complexes in Earth's atmosphere.

J. S. Francisco, S. Aloisio, 2000, Accounts of chemical research.

Probing OH stretching overtones of CH3OOH through action spectroscopy: Influence of dipole moment dependence on HOOC torsion.

J. S. Francisco, Jamie Matthews, A. Sinha, 2008, The Journal of chemical physics.

Heat of formation determination of the ground and excited state of cyanomethylene (HCCN) radical

J. S. Francisco, 1994 .

Should bromoform absorb at wavelengths longer than 300 nm

J. S. Francisco, K. Peterson, 2002 .

Accurate ab initio spectroscopic and thermodynamic properties of BBrx and HBBrx (x=0, +1, −1)

J. S. Francisco, K. Peterson, B. Flowers, 2001 .

Quantum Chemical Analysis of the CO-HNN+ Proton-Bound Complex.

Timothy J. Lee, J. S. Francisco, R. Fortenberry, 2016, The journal of physical chemistry. A.

Structure, Anharmonic Vibrational Frequencies, and Intensities of NNHNN(+).

T. Crawford, Timothy J. Lee, J. Bowman, 2015, The journal of physical chemistry. A.

Accurate ab initio study of the energetics of phosphorus nitride: Heat of formation, ionization potential, and electron affinity

D. Dixon, J. S. Francisco, D. Feller, 2003 .

Are helionitronium trications stable?

W. Eisfeld, J. S. Francisco, 2002, Proceedings of the National Academy of Sciences of the United States of America.

Dissociation of acetyl bromide: an experimental and theoretical study

J. S. Francisco, T. Dibble, Yi Su, 1995 .

The trans-HOCO radical: quartic force fields, vibrational frequencies, and spectroscopic constants.

T. Crawford, Timothy J. Lee, J. S. Francisco, 2011, The Journal of chemical physics.

Protonated nitrous acid (H2ONO+): Molecular structure, vibrational frequencies, and proton affinity

J. S. Francisco, 2001 .

Activation of dioxygen by halocarbon ions

R. Cooks, T. Pradeep, J. S. Francisco, 2000 .

Dihalogenated Methylperoxy Radicals: Spectroscopic Characterization and Photodecomposition by Release of HO•.

J. S. Francisco, Xiaoqing Zeng, Chao Song, 2020, Chemistry.

Surface Electrochemical Stability and Strain‐Tunable Lithium Storage of Highly Flexible 2D Transition Metal Carbides

T. Germann, Ruifeng Zhang, S. Du, 2018, Advanced Functional Materials.

Unraveling the mechanism of selective ion transport in hydrophobic subnanometer channels

J. S. Francisco, X. Zeng, Hui Li, 2015, Proceedings of the National Academy of Sciences.

OH.N2 and SH.N2 radical-molecule van der Waals complex.

S. Du, J. S. Francisco, Shiyu Du, 2009, The Journal of chemical physics.

Spectroscopic properties and stability of the SH x H2O open shell complex.

S. Du, J. S. Francisco, Shiyu Du, 2009, The Journal of chemical physics.

The OH radical-H2O molecular interaction potential.

Jun Yu Li, B. C. Garrett, S. Du, 2006, The Journal of chemical physics.

Rational Design of Highly Stable and Active MXene‐Based Bifunctional ORR/OER Double‐Atom Catalysts

T. Germann, Ruifeng Zhang, S. Du, 2021, Advanced materials.

Simplest N-Sulfonylamine HNSO2.

J. S. Francisco, Dingqing Li, Xiaoqing Zeng, 2016, Journal of the American Chemical Society.

Reconciling the Debate on the Existence of Pentazole HN5 in the Pentazolate Salt of (N5)6(H3O)3(NH4)4Cl.

Liang Ma, J. S. Francisco, Liping Lv, 2019, Journal of the American Chemical Society.

Structures of low-lying electronic states of the fluoroformyloxyl radical

J. S. Francisco, A. Ostafin, 1989 .

Phase behaviors of deeply supercooled bilayer water unseen in bulk water

K. Yasuoka, J. S. Francisco, Takuma Akimoto, 2018, Proceedings of the National Academy of Sciences.

Laser-Induced Fluorescence of CF2 from a CH4 Flame and an H2 Flame with Addition of HCFC-22 and HFC-134a

J. S. Francisco, Yongwei Gu, E. Rothe, 1998 .

Spectroscopic signatures of ozone at the air–water interface and photochemistry implications

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2014, Proceedings of the National Academy of Sciences.

Ab initio study of the reaction of ozone with bromide ion.

P. Shepson, M. Carignano, J. S. Francisco, 2015, The journal of physical chemistry. A.

Chapter 11 - Computational Study of the Reaction of n-Bromopropane with OH Radicals and Cl Atoms

J. S. Francisco, M. Martínez-Avilés, C. Rosado-Reyes, 2008 .

Multiple Stable Isoprene-Ozone Complexes Reveal Complex Entrance Channel Dynamics in the Isoprene + Ozone Reaction.

M. Kumar, D. Reichman, R. Friesner, 2020, Journal of the American Chemical Society.

Structure and thermochemistry of ClO2 radicals

S. Sander, J. S. Francisco, 1993 .

Does chlorine peroxide absorb below 250 nm?

J. S. Francisco, K. Peterson, 2004, The Journal of chemical physics.

Excited states of OH-(H₂O)n clusters for n = 1-4: an ab initio study.

G. J. Hoffman, L. Slipchenko, J. S. Francisco, 2014, The Journal of chemical physics.

Structure, spectroscopic properties, and photochemistry of the hydroxymethoxy radical.

W. Eisfeld, J. S. Francisco, 2009, The Journal of chemical physics.

Excited states and photodissociation of hydroxymethyl hydroperoxide.

W. Eisfeld, J. S. Francisco, 2008, The Journal of chemical physics.

Anharmonic fundamental vibrational frequencies and spectroscopic constants of the potential HSO2 radical astromolecule.

J. S. Francisco, R. Fortenberry, 2021, The Journal of chemical physics.

Tight electrostatic regulation of the OH production rate from the photolysis of hydrogen peroxide adsorbed on surfaces

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2021, Proceedings of the National Academy of Sciences.

Theoretical rovibrational characterization of HAlNP: Weak bonding but strong intensities

J. S. Francisco, T. Trabelsi, R. Fortenberry, 2021 .

Mechanisms of Acid-Promoted N2 and N2O Generation from NH2NO and NH2NO2.

J. S. Francisco, T. Trabelsi, Chongqin Zhu, 2020, The journal of physical chemistry. A.

HIOx-IONO2 Dynamics at the Air-Water Interface: Revealing the Existence of a Halogen Bond at the Atmospheric Aerosol Surface.

Manoj Kumar, J. S. Francisco, A. Saiz‐Lopez, 2020, Journal of the American Chemical Society.

Energetic Properties, Spectroscopy, and Reactivity of NF3O.

D. Dixon, J. S. Francisco, K. Christe, 2020, The journal of physical chemistry. A.

Reactivity of hydropersulfides toward the hydroxyl radical unraveled: disulfide bond cleavage, hydrogen atom transfer, and proton-coupled electron transfer.

R. Crehuet, J. S. Francisco, Yu Xia, 2018, Physical chemistry chemical physics : PCCP.

Quantum Chemical Rovibrational Analysis of the HOSO Radical.

Timothy J. Lee, J. S. Francisco, R. Fortenberry, 2017, The journal of physical chemistry. A.

A Coupled Cluster Investigation of SNO Radical Isomers and Their Reactions with Hydrogen Atom: Insight into Structures, Conformers, Barriers, and Energetics.

Manoj Kumar, J. S. Francisco, 2017, The journal of physical chemistry. A.

Accurate spectroscopic characterization of the HOC(O)O radical: A route toward its experimental identification.

M. Biczysko, J. S. Francisco, K. Peterson, 2017, The Journal of chemical physics.

Benchmark study of the structural and spectroscopic parameters of the hydroxymethyl peroxy (HOCH2OO) radical and its decomposition reaction to HO2 and H2CO.

J. S. Francisco, M. Hochlaf, C. Puzzarini, 2017, The Journal of chemical physics.

Stereoisomers of hydroxymethanes: Probing structural and spectroscopic features upon substitution.

J. S. Francisco, M. Hochlaf, N. Jaidane, 2016, The Journal of chemical physics.

New Mechanistic Pathways for Criegee-Water Chemistry at the Air/Water Interface.

Manoj Kumar, J. S. Francisco, Lei Li, 2016, Journal of the American Chemical Society.

SPECTROSCOPIC CONSTANTS OF THE X1Σ+ AND 13Π STATES OF AlO+

J. S. Francisco, M. Hochlaf, R. Linguerri, 2016 .

TOWARD THE ASTRONOMICAL DETECTION OF THE PROTON-BOUND COMPLEX NN–HCO+: IMPLICATIONS FOR THE SPECTRA OF PROTOPLANETARY DISKS

Timothy J. Lee, J. S. Francisco, R. Fortenberry, 2016 .

Quartic force field-derived vibrational frequencies and spectroscopic constants for the isomeric pair SNO and OSN and isotopologues.

J. S. Francisco, R. Fortenberry, 2015, The Journal of chemical physics.

Coupled-cluster and multireference configuration interaction study of the low-lying excited states of the H2O2-H2O complex.

J. S. Francisco, R. Linguerri, 2012, The Journal of chemical physics.

Ab initio studies on the low-lying excited states of ClO3 and BrO3

J. S. Francisco, Yumin Li, 2000 .

Mechanistic Insights into Fast Charging and Discharging of the Sodium Metal Battery Anode: A Comparison with Lithium.

Hailiang Wang, Y. Zhong, Qiuwei Shi, 2021, Journal of the American Chemical Society.

Reaction of Criegee Intermediate with Nitric Acid at the Air-Water Interface.

Manoj Kumar, J. S. Francisco, X. Zeng, 2018, Journal of the American Chemical Society.

Two-Dimensional Carbonitride MXenes as an Efficient Electrocatalyst for Hydrogen Evolution

T. Germann, Ruifeng Zhang, S. Du, 2021 .

Hydrogen Sulfide Induced Carbon Dioxide Activation by Metal-Free Dual Catalysis.

Manoj Kumar, J. S. Francisco, 2016, Chemistry.

Production of singlet oxygen atoms by photodissociation of oxywater.

J. S. Francisco, S. Peyerimhoff, J. Franz, 2009, The Journal of chemical physics.

Ab initio study of chain branching reactions involving second generation products in hydrocarbon combustion mechanisms.

J. S. Francisco, A. Davis, 2012, Physical chemistry chemical physics : PCCP.

The gas and solution phase acidities of HNO, HOONO, HONO, and HONO2

C. Zhan, D. Dixon, J. S. Francisco, 2003 .

Coupled-cluster study of the electronic structure and energetics of tetrasulfur, S4.

J. Harkless, D. Dixon, J. S. Francisco, 2007, The Journal of chemical physics.

Atmospheric significance of water clusters and ozone-water complexes.

G. J. Hoffman, L. Slipchenko, J. S. Francisco, 2013, The journal of physical chemistry. A.

Controlling states of water droplets on nanostructured surfaces by design.

J. S. Francisco, S. Meng, X. Zeng, 2017, Nanoscale.

Photochemistry and Non-adiabatic Photodynamics of the HOSO Radical.

D. Roca‐Sanjuán, J. S. Francisco, A. Saiz‐Lopez, 2021, Journal of the American Chemical Society.

Hydrogen atom abstraction from HOOOCl by chlorine atom and OH radical

J. S. Francisco, G. Poggi, 2007 .

STUDY OF THE STABILITY OF CL2O3 USING AB INITIO METHODS

Jason V. Clark, J. S. Francisco, 1997 .

Many-body decomposition of the binding energies for OH.(H2O)2 and OH.(H2O)3 complexes.

B. C. Garrett, S. Du, G. Schenter, 2008, The Journal of chemical physics.

Designing Flexible Quantum Spin Hall Insulators through 2D Ordered Hybrid Transition-Metal Carbides

T. Germann, Ruifeng Zhang, S. Du, 2019, The Journal of Physical Chemistry C.

Turning a Superhydrophilic Surface Weakly Hydrophilic: Topological Wetting States.

D. Alexander, C. Zuhlke, J. S. Francisco, 2020, Journal of the American Chemical Society.

An examination of primary and secondary dissociation pathways of trifluoromethanol: Identification of plausible routes leading to the formation of hydrogen fluoride

J. S. Francisco, 1991 .

A gas-to-particle conversion mechanism helps to explain atmospheric particle formation through clustering of iodine oxides

M. Kumar, J. S. Francisco, J. Plane, 2020, Nature Communications.

Elucidating the molecular mechanisms of Criegee-amine chemistry in the gas phase and aqueous surface environments

Manoj Kumar, J. S. Francisco, 2019, Chemical Science.

Single-Molecule Catalysis Revealed: Elucidating the Mechanistic Framework for the Formation and Growth of Atmospheric Iodine Oxide Aerosols in Gas-Phase and Aqueous Surface Environments.

Manoj Kumar, J. S. Francisco, A. Saiz‐Lopez, 2018, Journal of the American Chemical Society.

Sulfuric acid as autocatalyst in the formation of sulfuric acid.

J. S. Francisco, J. Anglada, M. Torrent‐Sucarrat, 2012, Journal of the American Chemical Society.

Photochemistry of SO2 at the Air-Water Interface: A Source of OH and HOSO Radicals.

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2018, Journal of the American Chemical Society.

Two-dimensional monolayer salt nanostructures can spontaneously aggregate rather than dissolve in dilute aqueous solutions

J. S. Francisco, X. Duan, Dongdong Lin, 2021, Nature Communications.

Photochemistry of HOSO2 and SO3 and Implications for the Production of Sulfuric Acid.

D. Roca‐Sanjuán, J. S. Francisco, A. Saiz‐Lopez, 2021, Journal of the American Chemical Society.

Spectroscopic Characterization of the First and Second Excited States of the HOSO Radical.

J. S. Francisco, T. Trabelsi, V. Esposito, 2021, The journal of physical chemistry. A.

Nitric Acid-Amine Chemistry in the Gas Phase and at the Air-Water Interface.

Manoj Kumar, J. S. Francisco, X. Zeng, 2018, Journal of the American Chemical Society.

Accurate theoretical spectroscopy of the lowest electronic states of CP radical

J. S. Francisco, M. Hochlaf, K. Marakchi, 2014 .

The formation of a surprisingly stable HO2-H2SO4 complex

J. S. Francisco, C. Miller, 2001 .

Deprotonation energy of HO2: Basis set limit energies

J. S. Francisco, 2001 .

New Radical−Molecule Association Compounds

J. S. Francisco, S. Aloisio, 2000 .

A Density Functional Study of the H2O−HOCO Complex

J. S. Francisco, S. Aloisio, 2000 .

Distinct ice patterns on solid surfaces with various wettabilities

Yanlin Song, J. S. Francisco, Ying Jiang, 2017, Proceedings of the National Academy of Sciences.

Unraveling nucleation pathway in methane clathrate formation

Youguo Yan, Jun Zhang, Jiafang Xu, 2020, Proceedings of the National Academy of Sciences.

Structures and heats of formation of the neutral and ionic PNO, NOP, and NPO systems from electronic structure calculations.

D. Dixon, J. S. Francisco, D. Grant, 2008, The Journal of chemical physics.

Unimolecular dissociation and thermochemistry of CH3OOH.

J. S. Francisco, Jamie Matthews, A. Sinha, 2005, The Journal of chemical physics.

Role of OH-stretch/torsion coupling and quantum yield effects in the first OH overtone spectrum of cis-cis HOONO.

Andrew K. Mollner, J. S. Francisco, M. Okumura, 2005, The Journal of chemical physics.

Cis-cis and trans-perp HOONO: action spectroscopy and isomerization kinetics.

P. Wennberg, J. S. Francisco, S. Nizkorodov, 2004, The Journal of chemical physics.

Atmospheric Photochemistry of Alternative Halocarbons

J. S. Francisco, M. Maricq, 2007 .

Computational Prediction of Novel Ice Phases: A Perspective.

J. S. Francisco, X. Zeng, Yuan Liu, 2020, The journal of physical chemistry letters.

An ultralow-density porous ice with the largest internal cavity identified in the water phase diagram

Jijun Zhao, L. Ojamäe, J. S. Francisco, 2019, Proceedings of the National Academy of Sciences.

CO Separation from H2 via Hydrate Formation in Single-Walled Carbon Nanotubes.

J. S. Francisco, X. Zeng, Wenhui Zhao, 2016, The journal of physical chemistry letters.

Spontaneous formation of one-dimensional hydrogen gas hydrate in carbon nanotubes.

J. S. Francisco, X. Zeng, J. Bai, 2014, Journal of the American Chemical Society.

Structural and spectroscopic study of the linear proton-bound complex of PN with HNP+.

A. Mitrushchenkov, J. S. Francisco, C. E. Cotton, 2013, The Journal of chemical physics.

Bond dissociation energies in second-row compounds.

David A Dixon, D. Dixon, J. S. Francisco, 2008, The journal of physical chemistry. A.

Low-lying excited states of HOOOCl and HOOOBr

J. S. Francisco, K. Peterson, 2000 .

Spectroscopic characterization of two peroxyl radicals during the O2-oxidation of the methylthio radical

J. S. Francisco, Xiaoqing Zeng, Zhuang Wu, 2022, Communications Chemistry.

Binding of the atomic cations hydrogen through argon to water and hydrogen sulfide.

Gregory S. Tschumper, Katelyn M. Dreux, J. S. Francisco, 2018, Physical chemistry chemical physics : PCCP.

Analytic ab initio-based molecular interaction potential for the BrO⋅H2O complex.

Ross D. Hoehn, S. Kais, J. S. Francisco, 2016, The Journal of chemical physics.

Thermodynamics and Kinetics for the Free Radical Oxygen Protein Oxidation Pathway in a Model for β-Structured Peptides.

L. Slipchenko, J. S. Francisco, A. Davis, 2016, The journal of physical chemistry. A.

Energetic Properties and Electronic Structure of [Si,N,S] and [Si,P,S] Isomers.

D. Dixon, J. S. Francisco, Zongtang Fang, 2016, The journal of physical chemistry. A.

Theoretical study of the spectroscopically relevant parameters for the detection of HNP(q) and HPN(q) (q = 0, +1, -1) in the gas phase.

J. S. Francisco, M. Hochlaf, R. Linguerri, 2012, The Journal of chemical physics.

Experimental observation of the 16-electron molecules SPN, SNP, and cyclic PSN.

J. S. Francisco, Xiaoqing Zeng, H. Beckers, 2012, Angewandte Chemie.

Vibrational frequencies and spectroscopic constants from quartic force fields for cis-HOCO: the radical and the anion.

T. Crawford, Timothy J. Lee, J. S. Francisco, 2011, The Journal of chemical physics.

The kinetics study of the S + S2 → S3 reaction by the chaperone mechanism.

T. Germann, S. Du, J. S. Francisco, 2011, Journal of Chemical Physics.

Ab initio spectroscopic characterization of the HNNO and ONHN radicals.

J. S. Francisco, K. Peterson, 2011, The Journal of chemical physics.

Interaction of ClO radical with liquid water.

B. C. Garrett, S. Du, G. Schenter, 2009, Journal of the American Chemical Society.

An Ab Initio Study of the Structures, Vibrational Spectra, and Energetics of AlSHX (X = –1, 0, +1)

J. S. Francisco, S. Guha, 2007 .

Sulfur atom exchange in the reaction of SH radicals with S atoms.

J. S. Francisco, 2007, The Journal of chemical physics.

Ab initio and analytical intermolecular potential for ClO-H2O.

B. C. Garrett, S. Du, G. Schenter, 2007, The Journal of chemical physics.

Ground and electronically excited states of methyl hydroperoxide: comparison with hydrogen peroxide.

J. Watts, J. S. Francisco, 2006, The Journal of chemical physics.

Ab initio study of the structure, bonding, vibrational spectra, and energetics of XBS+ (where X=H, F, and Cl).

J. S. Francisco, 2006, The Journal of chemical physics.

Laboratory evidence for a key intermediate in the Venus atmosphere: peroxychloroformyl radical.

F. Mills, Y. Yung, J. S. Francisco, 2004, Proceedings of the National Academy of Sciences of the United States of America.

Ab initio study of the electronic spectrum of peroxyacetyl nitrate.

J. S. Francisco, Yumin Li, 2004, The Journal of chemical physics.

Dimerization and trapping of diazirinyl radicals

Robert A. Thompson, J. Grutzner, J. S. Francisco, 2004 .

Coupled‐cluster studies of HOONO+: Additional conformers of the 2A″ON+ ? OOH complex and a comparison of restricted and unrestricted open‐shell Hartree–Fock coupled‐cluster results

J. Watts, J. S. Francisco, 2004 .

Molecular structure, vibrational frequencies, energetics, and excited states of the HOONO+ ions

J. Watts, J. S. Francisco, 2003 .

A complete active space self-consistent field multiconfiguration reference configuration interaction study of the potential energy curves of the ground and excited states of CCl

J. S. Francisco, Yumin Li, 2001 .

ON THE MECHANISM OF THE BRO + HBR REACTION

Zhuangjie Li, J. S. Francisco, J. Hansen, 1999 .

A COUPLED-CLUSTER STUDY OF THE MECHANISM FOR THE CHF+H REACTION

J. S. Francisco, 1999 .

AN AB INITIO STUDY OF THE STRUCTURES AND ENERGETICS OF CH3OCL AND CH3CLO

J. S. Francisco, 1999 .

Complete active space self‐consistent field and density functional study of FNO

J. S. Francisco, I. Williams, R. Deeth, 1994 .

The Trifluoromethyl Sulfinyl and Oxathiyl Radicals.

P. Schreiner, J. S. Francisco, A. Eckhardt, 2017, Chemistry.

Potential energy surface for the hydroperoxy and water (HO2·H2O) radical complex

S. Kais, J. S. Francisco, S. D. Belair, 2002 .

Thermodynamic properties of the isomers of [HNOS], [HNO2 S], and [HNOS2 ] and the role of the central sulfur.

D. Dixon, J. S. Francisco, M. Méndez, 2014, Chemistry.

The Molecular Structures and Energetics of Cl2CO, ClCO, Br2CO, and BrCO

D. Dixon, J. S. Francisco, K. Peterson, 2000 .

The matrix-isolated molecular complexes CO/XF (X=Cl,Br,I) and the molecular structure of FC(O)Br.

J. S. Francisco, H. Willner, H. Oberhammer, 2004, The Journal of chemical physics.

CF3CO dissociation kinetics

J. S. Francisco, G. Khitrov, J. Szente, 1995 .

First-Principles Molecular Dynamics Simulations of the Spontaneous Freezing Transition of 2D Water in a Nanoslit.

J. S. Francisco, X. Zeng, Yuan Liu, 2021, Journal of the American Chemical Society.

Atomic imaging of the edge structure and growth of a two-dimensional hexagonal ice

E. Wang, Xin-Zheng Li, Ji Chen, 2020, Nature.

Direct observation of 2-dimensional ices on different surfaces near room temperature without confinement

J. S. Francisco, X. Zeng, Jianjun Wang, 2019, Proceedings of the National Academy of Sciences.

Self-Catalytic Reaction of SO3 and NH3 To Produce Sulfamic Acid and Its Implication to Atmospheric Particle Formation.

Shaowen Zhang, Hanna Vehkamäki, Theo Kurtén, 2018, Journal of the American Chemical Society.

Structures, Vibrational Spectra, and Relative Energetics of HBrO3 Isomers

J. S. Francisco, Sujata Guha and, 1998 .

A DENSITY FUNCTIONAL STUDY OF THE STRUCTURE, VIBRATIONAL SPECTRA, AND RELATIVE ENERGETICS OF XBRO2 ISOMERS (WHERE X = H, CL, AND BR)

J. S. Francisco, S. Guha, 1997 .

STRUCTURES, RELATIVE STABILITIES, AND SPECTRA OF ISOMERS OF HCLO2

Timothy J. Lee, A. Rendell, S. Sander, 1994 .

Relative vibrational overtone intensity of cis-cis and trans-perp peroxynitrous acid.

J. S. Francisco, Jamie Matthews, A. Sinha, 2004, The Journal of chemical physics.

Reactivity trends within alkoxy radical reactions responsible for chain branching.

J. S. Francisco, A. Davis, 2011, Journal of the American Chemical Society.

Thermochemistry of possible degradation pathways for compounds CF3 CHXY(X, Y = H, F, Cl) using AM1 and MNDO semiempirical methods

J. S. Francisco, W. Ghoul, I. H. Wilhams, 1993 .

Dissociation dynamics of perhaloalkoxy radicals

Zhuangjie Li, J. S. Francisco, 1989 .

On the competition between hydrogen abstraction versus C-O bond fission in initiating dimethyl ether combustion

J. S. Francisco, 1999 .

Diode laser spectroscopy of the ν9 band of ethyl chloride

J. S. Francisco, J. Steinfeld, Zhu Qingshi, 1982 .

Dimethylamine Addition to Formaldehyde Catalyzed by a Single Water Molecule: A Facile Route for Atmospheric Carbinolamine Formation and Potential Promoter of Aerosol Growth.

S. Klippenstein, J. S. Francisco, A. Sinha, 2016, The journal of physical chemistry. A.

Infrared multiphoton decomposition and energy-dependent absorption cross section of chloroethane

J. S. Francisco, J. Steinfeld, R. Gilbert, 1982 .

Thioaldehydes from Aldehyde-Hydrogen Sulfide Interaction Under Organocatalysis.

Manoj Kumar, J. S. Francisco, 2017, Chemistry.

Atmospheric Chemical Kinetics of FC(O)O

J. S. Francisco, J. Szente, M. Maricq, 1994 .

Infrared photochemistry of bis(trifluoromethyl) peroxide

M. Findeis, J. S. Francisco, J. Steinfeld, 1981 .

Criegee intermediate inside fullerene cage: Evidence for size-dependent reactivity.

Manoj Kumar, J. S. Francisco, X. Zeng, 2018, The Journal of chemical physics.

Infrared photochemistry of FBrCO. An experimental and theoretical study

J. S. Francisco, Y. Zhao, 1993 .

Convolution and deconvolution of focused beam data in multiphoton decomposition experiments

J. S. Francisco, J. Steinfeld, R. Gilbert, 1981 .

A re-examination of the heat of formation of HO2 using ab initio molecular orbital theory

J. S. Francisco, Y. Zhao, 1991 .

Elemental sulfur aerosol-forming mechanism

Manoj Kumar, J. S. Francisco, 2017, Proceedings of the National Academy of Sciences.

Formation of bilayer clathrate hydrates

Jinlong Yang, J. S. Francisco, X. Zeng, 2015 .

Design strategies to minimize the radiative efficiency of global warming molecules

Timothy J. Lee, J. S. Francisco, P. Bera, 2010, Proceedings of the National Academy of Sciences.

Spectroscopic characterization of the five possible orientations of a hydrogen-bonded pair of water molecules within the cubic water octamer framework

J. S. Francisco, S. D. Belair, Bryant P. Suitte, 2005 .

Reactive scattering dynamics in atom+polyatomic systems: F+C2H6-->HF(v,J)+C2H5.

D. Nesbitt, J. S. Francisco, A. McCoy, 2005, The Journal of chemical physics.

Full-Dimensional Theory of Pair-Correlated HNCO Photofragmentation.

J. S. Francisco, M. Hochlaf, L. Bonnet, 2017, The journal of physical chemistry letters.

Heats of formation of the H1,2OmSn (m, n = 0-3) molecules from electronic structure calculations.

D. Dixon, J. S. Francisco, K. Peterson, 2009, The journal of physical chemistry. A.

Photosensitization mechanisms at the air–water interface of aqueous aerosols

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2022, Chemical science.

Ion pair particles at the air–water interface

Manoj Kumar, J. S. Francisco, 2017, Proceedings of the National Academy of Sciences.

Interfaces Select Specific Stereochemical Conformations: The Isomerization of Glyoxal at the Liquid Water Interface.

S. Kais, J. S. Francisco, X. Zeng, 2017, Journal of the American Chemical Society.

Existence of a Chlorine Oxide and Water (ClO.cntdot.H2O) Radical Complex

S. Sander, J. S. Francisco, 1995 .

Impact of water on the OH + HOCl reaction.

J. S. Francisco, J. Anglada, R. Buszek, 2011, Journal of the American Chemical Society.

Structure and Energetics of Hydrogen Bonded HOx−HNO3 Complexes

J. S. Francisco, S. Aloisio, 1999 .

Communication: Interaction of BrO radical with the surface of water.

J. S. Francisco, X. Zeng, Chongqin Zhu, 2016, The Journal of chemical physics.

Molecular Interaction and Orientation of HOCl on Aqueous and Ice Surfaces.

J. S. Francisco, T. An, J. Zhong, 2020, Journal of the American Chemical Society.

Capture of the Sulfur Monoxide-Hydroxyl Radical Complex (•OH···OS).

J. Qin, Jun Li, J. S. Francisco, 2020, Journal of the American Chemical Society.

Red-Light Initiated Decomposition of α-Hydroxy Methylperoxy Radical in the Presence of Organic and Inorganic Acids: Implications for the HOx Formation in the Lower Stratosphere.

Manoj Kumar, J. S. Francisco, 2016, The journal of physical chemistry. A.

Ab initio quantum-chemical study of the unimolecular pyrolysis mechanisms of fluoroformic and chloroformic acid

J. S. Francisco, W. Ghoul, 1991 .

Reactivity of atmospherically relevant small radicals at the air-water interface.

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2012, Angewandte Chemie.

An ab initio investigation of the significance of the HOOF intermediate in coupling reactions involving FOOx and HOx species

Joseph S. Francisco, J. S. Francisco, 1993 .

A re-examination of the infrared and ultraviolet spectroscopy of trifluoroacetyl fluoride and trifluoroacetyl chloride: An experimental and theoretical study

J. S. Francisco, I. Williams, 1992 .

Interaction of SO2 with the Surface of a Water Nanodroplet.

J. S. Francisco, G. Richmond, Lei Li, 2017, Journal of the American Chemical Society.

Can Urea Be a Seed for Aerosol Particle Formation in Air?

Manoj Kumar, J. S. Francisco, T. Trabelsi, 2018, Journal of Physical Chemistry A.

New Insights into the Stability of Anhydrous 2H-imidazolium Fluoride and its High Dissolution Capability toward a Strongly Hydrogen-bonded Compound.

J. S. Francisco, X. Zeng, Xiaogang Guo, 2020, Journal of the American Chemical Society.

Encapsulation kinetics and dynamics of carbon monoxide in clathrate hydrate

T. Germann, S. Du, S. Vogel, 2014, Nature Communications.

Infrared spectrum and stability of the H2O-HO complex: experiment and theory.

J. S. Francisco, M. Lester, A. McCoy, 2010, The journal of physical chemistry. A.

Reactivity of volatile organic compounds at the surface of a water droplet.

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2012, Journal of the American Chemical Society.

A possible unaccounted source of atmospheric sulfate formation: amine-promoted hydrolysis and non-radical oxidation of sulfur dioxide† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c9sc04756e

J. S. Francisco, X. Zeng, Hui Li, 2020, Chemical science.

Theoretical Investigation of the Photoexcited NO2 + H2O reaction at the Air-Water interface and Its Atmospheric Implications.

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2019, Chemistry.

Near-Barrierless Ammonium Bisulfate Formation via a Loop-Structure Promoted Proton-Transfer Mechanism on the Surface of Water.

Xiao Cheng Zeng, Jie Zhong, Manoj Kumar, 2016, Journal of the American Chemical Society.

Molecular tuning of the closed shell C-H···F-C hydrogen bond.

R. Ley, J. S. Francisco, Norman Lu, 2013, The journal of physical chemistry. A.

The importance of weak absorption features in promoting tropospheric radical production.

J. S. Francisco, Jamie Matthews, A. Sinha, 2005, Proceedings of the National Academy of Sciences of the United States of America.

Molecular insights into organic particulate formation

Manoj Kumar, J. S. Francisco, J. Hansen, 2019, Communications Chemistry.

Water desalination through rim functionalized carbon nanotubes

Yang Hong, Jingchao Zhang, J. S. Francisco, 2019, Journal of Materials Chemistry A.

The gas-phase decomposition of CF(3)OH with water: a radical-catalyzed mechanism.

J. S. Francisco, R. Buszek, 2009, The journal of physical chemistry. A.

Atmospheric chemistry of alternative fuels and alternative chlorofluorocarbons.

J. S. Francisco, David A Good, Joseph S Francisco, 2003, Chemical reviews.

Hydrogen bonding and orientation effects on the accommodation of methylamine at the air-water interface.

Ross D. Hoehn, S. Kais, M. Carignano, 2016, The Journal of chemical physics.

Interaction of the NH2 Radical with the Surface of a Water Droplet.

J. S. Francisco, Lei Li, X. Zeng, 2015, Journal of the American Chemical Society.

A Computational Approach to Understanding Aerosol Formation and Oxidant Chemistry in the Troposphere

B. C. Garrett, D. Dixon, S. Du, 2006 .

Keeping Mars warm with new super greenhouse gases

Y. Yung, J. S. Francisco, C. Boxe, 2001, Proceedings of the National Academy of Sciences of the United States of America.

Bimolecular reaction of molecular oxygen with overtone excited HOOH: Implications for recycling HO2 in the atmosphere

D. Donaldson, J. S. Francisco, 2003 .

Direct ab initio dynamics study of the OH + HOCO reaction.

J. S. Francisco, J. Muckerman, Hua-Gen Yu, 2005, The journal of physical chemistry. A.

High level ab initio study of the structure and vibrational spectra of HO(2)NO(2).

J. S. Francisco, Jamie Matthews, A. Sinha, 2004, The Journal of chemical physics.

A theoretical study of the spectroscopy and dissociation dynamics of HBrCO

J. S. Francisco, Y. Zhao, 1992 .

Wavelength-Dependent Photolysis ofn-Butyraldehyde andi-Butyraldehyde in the 280−330-nm Region

J. S. Francisco, Lei Zhu, Yunqing Chen, 2002 .

An ab initio study of the structure, vibrational frequencies and intensities of the chloroformyl van der Waals radical

J. S. Francisco, N. J. Abersold, 1992 .

Generation and release of OH radicals from the reaction of H2O with O2 over soot.

P. Xie, Hong S. He, G. He, 2022, Angewandte Chemie.

Energetics and molecular dynamics of the reaction of HOCO with HO(2) radicals.

J. S. Francisco, J. Muckerman, Hua-Gen Yu, 2008, The Journal of chemical physics.

Molecular boxes as storage containers for H 2

J. S. Francisco, S. D. Belair, Bryant P. Suitte, 2004 .

Role of Water on the Rotational Dynamics of the Organic Methylammonium Cation: A First Principles Analysis

Ross D. Hoehn, S. Kais, J. S. Francisco, 2019, Scientific Reports.

A quadratic configuration interaction study of the proton affinity of acetic acid

J. S. Francisco, C. Miller, 2002 .

Phonon-mediated stabilization and softening of 2D transition metal carbides: case studies of Ti2CO2 and Mo2CO2.

T. Germann, Ruifeng Zhang, S. Du, 2018, Physical chemistry chemical physics : PCCP.

Crystal structure and encapsulation dynamics of ice II-structured neon hydrate

T. Germann, S. Du, S. Vogel, 2014, Proceedings of the National Academy of Sciences.

Computational study on the existence of organic peroxy radical-water complexes (RO2.H2O).

J. S. Francisco, J. Hansen, Jared M. Clark, 2008, The journal of physical chemistry. A.

Complexes of Hydroxyl and Hydroperoxyl Radical with Formaldehyde, Acetaldehyde, and Acetone

J. S. Francisco, S. Aloisio, 2000 .

Hydrolysis of glyoxal in water-restricted environments: formation of organic aerosol precursors through formic acid catalysis.

Montu K. Hazra, J. S. Francisco, A. Sinha, 2014, The journal of physical chemistry. A.

Identifying the molecular origin of global warming.

Timothy J. Lee, J. S. Francisco, P. Bera, 2004, The journal of physical chemistry. A.

Making Sure That Hydrofluorocarbons Are “Ozone Friendly”

J. S. Francisco, M. Maricq, 1996 .

Temperature dependent kinetics of the formation and self‐reactions of FC(O)O2 and FC(O)O radicals

J. S. Francisco, G. Khitrov, J. Szente, 1993 .

Visible absorption spectroscopy of the B 2A1–X 2B2 transition of fluoroformyloxyl radical, FC(O)O

Zhuangjie Li, J. S. Francisco, J. Szente, 1993 .

Theoretical Studies of Atmospheric Reaction Mechanisms in the Troposphere

J. S. Francisco, L. Vereecken, 2012 .

Adsorption Behaviors and Phase Equilibria for Clathrate Hydrates of Sulfur- and Nitrogen-Containing Small Molecules

S. Du, Minghui Yang, Qing Huang, 2018, The Journal of Physical Chemistry C.

The SF5Ox radicals, x=0-3.

J. S. Francisco, H. Willner, S. von Ahsen, 2004, Angewandte Chemie.

Reply to Wallington et al.: Differences in electronic structure of global warming molecules lead to different molecular properties

Timothy J. Lee, J. S. Francisco, P. Bera, 2010, Proceedings of the National Academy of Sciences.

A COMPUTATIONAL STUDY OF THE REACTION BETWEEN METHYL RADICALS AND HXCO (WHERE X = H AND F)

J. S. Francisco, Yi Su, 1995 .

Mg@C60 nano-lamellae and its 12.50 wt% hydrogen storage capacity

J. S. Francisco, W. Ye, J. Yin, 2019, International Journal of Hydrogen Energy.

Photodissociation studies of CBr(4) (+) and CBr(3) (+) at 267 nm using ion velocity imaging.

W. Jackson, J. S. Francisco, Jianhua Huang, 2004, The Journal of chemical physics.

Ab initio prediction of the barrier height for abstraction of hydrogen from H2O2 by ClO radical

S. Sander, J. S. Francisco, 1995 .

The Triplet Hydroxyl Radical Complex of Phosphorus Monoxide.

J. Qin, Jun Li, J. S. Francisco, 2020, Angewandte Chemie.

Organic Acid Formation from the Atmospheric Oxidation of Gem Diols: Reaction Mechanism, Energetics, and Rates.

Manoj Kumar, J. S. Francisco, A. Parandaman, 2018, Journal of Physical Chemistry A.

An examination of the structure and inversion barrier for lithium and sodium phosphide

J. S. Francisco, G. Khitrov, 1993 .

A density functional study of H2O–OClO, (H2O)2–OClO and H2O–ClOO complexes

J. S. Francisco, S. Aloisio, 2000 .

Interaction between OH radical and the water interface.

J. S. Francisco, Shiyu Du, 2008, The journal of physical chemistry. A.

Molecular structure, spectroscopy and matrix photochemistry of fluorocarbonyl iodide, FC(O)I.

J. S. Francisco, K. Peterson, G. Argüello, 2004, Chemistry.

Crystal structure and encapsulation dynamics of ice II-structured neon hydrate

T. Germann, S. Vogel, Jinlong Zhu, 2014, Proceedings of the National Academy of Sciences.

Effects of X (X=H2S, SO2 and N2O) Mole Fractions on Adsorption Behavior and Phase Equilibrium Properties of CO2+X Mixed Gas Hydrate

J. S. Francisco, Ningru Sun, Nianxiang Qiu, 2023, Journal of Molecular Liquids.

Atmospheric Spectroscopy and Photochemistry at Environmental Water Interfaces.

X. Zeng, J. S. Francisco, M. Ruiz‐López, 2019, Annual review of physical chemistry.

Self-Catalytic Reaction of SO3 and NH3 To Produce Sulfamic Acid and Its Implication to Atmospheric Particle Formation.

Maofa Ge, J. S. Francisco, H. Vehkamäki, 2018, Journal of the American Chemical Society.

Excited states and photodissociation of hydroxymethyl hydroperoxide.

W. Eisfeld, J. S. Francisco, 2008, The Journal of chemical physics.

Characterization of the electronic states of the biological relevant SSNO molecule.

J. S. Francisco, M. Hochlaf, M. Mogren Al-Mogren, 2017, The Journal of chemical physics.

Toward the laboratory identification of [O,N,S,S] isomers: Implications for biological NO chemistry.

J. S. Francisco, M. Hochlaf, N. Jaidane, 2016, The Journal of chemical physics.

Radical-molecule complexes: changing our perspective on the molecular mechanisms of radical-molecule reactions and their impact on atmospheric chemistry.

J. S. Francisco, J. Hansen, 2002, Chemphyschem : a European journal of chemical physics and physical chemistry.

Hydroxyalkoxy radicals: importance of intramolecular hydrogen bonding on chain branching reactions in the combustion and atmospheric decomposition of hydrocarbons.

J. S. Francisco, A. Davis, 2014, The journal of physical chemistry. A.

ON THE MECHANISM OF THE BRO + CH2O REACTION

Zhuangjie Li, J. S. Francisco, J. Hansen, 1999 .

Photochemistry of SO2 at the Air-Water Interface: A Source of OH and HOSO Radicals.

J. S. Francisco, M. Ruiz‐López, J. Anglada, 2018, Journal of the American Chemical Society.

Interaction of the NH2 Radical with the Surface of a Water Droplet.

J. S. Francisco, Lei Li, X. Zeng, 2015, Journal of the American Chemical Society.

Multielemental single–atom-thick A layers in nanolaminated V2(Sn, A) C (A = Fe, Co, Ni, Mn) for tailoring magnetic properties

Mian Li, Z. Chai, Qing Huang, 2019, Proceedings of the National Academy of Sciences.

A molecular perspective for global modeling of upper atmospheric NH3 from freezing clouds

Jun Wang, J. S. Francisco, C. Ge, 2018, Proceedings of the National Academy of Sciences.

Ab initio study of key branching reactions in biodiesel and Fischer-Tropsch fuels.

J. S. Francisco, A. Davis, 2011, Journal of the American Chemical Society.

Water effect on the OH + HCl reaction.

J. Barker, J. S. Francisco, R. Buszek, 2012, The journal of physical chemistry. A.

TiO2/β-C3N4 for sunlight-driven overall water splitting

J. S. Francisco, Kaili Zhu, Peng Gao, 2022, Journal of Alloys and Compounds.

The Stability of α-Hydroperoxyalkyl Radicals.

R. Crehuet, J. S. Francisco, J. Anglada, 2016, Chemistry.

Vibrational analysis of chloroethane-2-d1

J. S. Francisco, J. Steinfeld, Zhu Qingshi, 1982 .

Theoretical studies of atmospheric reaction mechanisms in the troposphere.

J. S. Francisco, L. Vereecken, 2012, Chemical Society reviews.

Laser chemical physics II: Infrared multiple photon dissociation

R. Smalley, U. Shreter, J. Tsao, 1982 .

A study of competitive secondary dissociation in the thermal decomposition of ethynylsilane

J. S. Francisco, J. McDouall, C. Kurz, 1989 .

Red-Light Initiated Decomposition of α-Hydroxy Methylperoxy Radical in the Presence of Organic and Inorganic Acids: Implications for the HOx Formation in the Lower Stratosphere.

Manoj Kumar, J. S. Francisco, 2016, The journal of physical chemistry. A.

The reaction of atomic fluorine with formyl fluoride: An experimental and theoretical study

J. S. Francisco, Y. Zhao, 1990 .

AB INITIO STUDY ON THE POTENTIAL ENERGY HYPERSURFACE OF FC(O)O

J. S. Francisco, 1997 .

Ultraviolet spectroscopy of the B 2A’ and C 2A‘ states of FCO

J. S. Francisco, J. Szente, M. Maricq, 1994 .

Multiple Wetting–Dewetting States of a Water Droplet on Dual-Scale Hierarchical Structured Surfaces

D. Alexander, C. Zuhlke, J. S. Francisco, 2021, JACS Au.

A computational study of the reaction between FO radicals and methane

Joseph S. Francisco, J. S. Francisco, Yi Su, 1993 .

Excited states of OH-(H₂O)n clusters for n = 1-4: an ab initio study.

G. J. Hoffman, L. Slipchenko, J. S. Francisco, 2014, The Journal of chemical physics.

Primary steps in the reaction of OH radicals with peptide systems: perspective from a study of model amides.

J. S. Francisco, A. Davis, Hoang Q. Doan, 2010, The journal of physical chemistry. A.

The kinetics study of the S + S2 → S3 reaction by the chaperone mechanism.

T. Germann, J. S. Francisco, K. Peterson, 2011, The Journal of chemical physics.

Theoretical study of the spectroscopically relevant parameters for the detection of HNP(q) and HPN(q) (q = 0, +1, -1) in the gas phase.

J. S. Francisco, M. Hochlaf, R. Linguerri, 2012, Journal of Chemical Physics.

Electronic states, conical intersections, and spin-rovibronic spectroscopy of the nitrogen oxide sulfide radical.

J. S. Francisco, M. Hochlaf, O. Yazidi, 2013, The Journal of chemical physics.

Efficient exploration of complex free energy landscapes by stepwise multi-subphase space metadynamics.

W. Fang, J. S. Francisco, Yanhong Cui, 2022, The Journal of chemical physics.

Single-Molecule Catalysis Revealed: Elucidating the Mechanistic Framework for the Formation and Growth of Atmospheric Iodine Oxide Aerosols in Gas-Phase and Aqueous Surface Environments.

Manoj Kumar, J. S. Francisco, A. Saiz‐Lopez, 2018, Journal of the American Chemical Society.

Thermodynamic properties of the isomers of [HNOS], [HNO2 S], and [HNOS2 ] and the role of the central sulfur.

D. Dixon, J. S. Francisco, M. Méndez, 2014, Chemistry.

Simplest N-Sulfonylamine HNSO2.

J. S. Francisco, Dingqing Li, Xiaoqing Zeng, 2016, Journal of the American Chemical Society.

Quartic force field-derived vibrational frequencies and spectroscopic constants for the isomeric pair SNO and OSN and isotopologues.

J. S. Francisco, R. Fortenberry, 2015, The Journal of chemical physics.

Observation of the laser induced fluorescence spectra of C2(d 3πg←a 3πu) from the infrared multiphoton dissociation of bis‐trifluoromethyl peroxide

Zhuangjie Li, J. S. Francisco, 1992 .

Tropospheric Oxidation Mechanism of Dimethyl Ether and Methyl Formate

J. S. Francisco, D. A. Good, 2000 .

The origin of sticking between a hydroperoxy radical and a water surface.

J. S. Francisco, S. D. Belair, Heriberto Hernández, 2004, Journal of the American Chemical Society.

Atmospheric Oxidation of Fluorinated Ethers, E143a (CF3OCH3), E134 (CHF2OCHF2), and E125 (CHF2OCF3)

J. S. Francisco, D. A. Good, M. Kamboures, 1999 .

The thermal and electrical properties of the promising semiconductor MXene Hf2CO2

Jian He, Heming He, Qing Huang, 2015, Scientific Reports.

iate-hydrogen sul fi de chemistry at the air / water interface †

Manoj Kumar, J. S. Francisco, X. Zeng, 2017 .

HNS(+) and HSN(+) cations: Electronic states, spin-rovibronic spectroscopy with planetary and biological implications.

J. S. Francisco, M. Hochlaf, T. Trabelsi, 2016, The Journal of chemical physics.