A. McCoy

发表

G. Scuseria, A. McCoy, 2014, Journal of chemical theory and computation.

Deconstructing water’s diffuse OH stretching vibrational spectrum with cold clusters

Mark A. Johnson, A. McCoy, P. Kelleher, 2019, Science.

Simultaneous evaluation of multiple rotationally excited states of H3(+), H3O(+), and CH5(+) using diffusion Monte Carlo.

Jason E. Ford, A. McCoy, A. Petit, 2014, The journal of physical chemistry. A.

Spectroscopic Signatures of Mode-Dependent Tunnel Splitting in the Iodide-Water Binary Complex.

Mark A. Johnson, R. Steele, Meng Huang, 2020, The journal of physical chemistry. A.

Structural characterization of electron-induced proton transfer in the formic acid dimer anion, (HCOOH)2-, with vibrational and photoelectron spectroscopies.

Mark A. Johnson, Andrew F. DeBlase, K. Jordan, 2012, The Journal of chemical physics.

Solvent-Mediated Electron Hopping: Long-Range Charge Transfer in IBr−(CO2) Photodissociation

W. C. Lineberger, Samantha Horvath, E. Miller, 2010, Science.

Isolating the Contributions of Specific Network Sites to the Diffuse Vibrational Spectrum of Interfacial Water with Isotopomer-Selective Spectroscopy of Cold Clusters.

Mark A. Johnson, S. Xantheas, A. McCoy, 2020, The journal of physical chemistry. A.

Microhydration of contact ion pairs in M(2+)OH(-)(H2O)(n=1-5) (M = Mg, Ca) clusters: spectral manifestations of a mobile proton defect in the first hydration shell.

Mark A. Johnson, Arron B. Wolk, Christopher J. Johnson, 2014, The journal of physical chemistry. A.

Role of Torsion-Vibration Coupling in the Overtone Spectrum and Vibrationally Mediated Photochemistry of CH3OOH and HOOH.

A. McCoy, Jamie Matthews, A. Sinha, 2017, The journal of physical chemistry. A.

Role of Torsion-Vibration Coupling in the Overtone Spectrum and Vibrationally Mediated Photochemistry of CH 3 OOH and HOOH Published as part of The Journal of Physical Chemistry virtual special issue “ Veronica Vaida Festschrift ”

A. McCoy, Jamie Matthews, A. Sinha, 2017 .

Infrared-driven unimolecular reaction of CH3CHOO Criegee intermediates to OH radical products

Fang Liu, F. Liu, M. Lester, 2014, Science.

Time-dependent studies of reaction dynamics: a test of mixed quantum/classical time-dependent self-consistent field approximations

A. McCoy, Lichang Wang, 1999 .

Transition state dynamics of chemical reactions in clusters: A six‐dimensional study of Ar(ClHCl)

A. McCoy, 1995 .

Transition state dynamics of X + HX reactions using the time-dependent self-consistent field approximation

A. McCoy, 1995 .

Femtosecond dynamics of Cu(CD3OD).

W. C. Lineberger, Samantha Horvath, A. McCoy, 2007, The Journal of chemical physics.

Thermodynamics of water dimer dissociation in the primary hydration shell of the iodide ion with temperature-dependent vibrational predissociation spectroscopy.

Mark A. Johnson, Tim K. Esser, F. Paesani, 2015, The journal of physical chemistry. A.

Photoelectron spectra of dihalomethyl anions: testing the limits of normal mode analysis.

W. C. Lineberger, Scott W. Wren, K. M. Ervin, 2011, The Journal of chemical physics.

Photoelectron spectroscopy of HC4N-.

W. C. Lineberger, Scott W. Wren, R. McMahon, 2011, The Journal of chemical physics.

Nonequilibrium Molecular Energy Coupling and Conversion Mechanisms

I. Adamovich, A. McCoy, 2016 .

Photoelectron Spectroscopy of cis-Nitrous Acid Anion (cis-HONO(-)).

W. C. Lineberger, A. McCoy, Allan M Oliveira, 2016, The journal of physical chemistry. A.

Deep tunneling in the unimolecular decay of CH3CHOO Criegee intermediates to OH radical products.

Victoria P. Barber, Fang Liu, S. Klippenstein, 2016, The Journal of chemical physics.

CH Stretch Activation of CH3CHOO: Deep Tunneling to Hydroxyl Radical Products.

Victoria P. Barber, M. Lester, S. Pandit, 2019, The journal of physical chemistry. A.

Tunneling effects in the unimolecular decay of (CH3)2COO Criegee intermediates to OH radical products.

Victoria P. Barber, S. Klippenstein, M. Lester, 2017, The Journal of chemical physics.

Communication: Real time observation of unimolecular decay of Criegee intermediates to OH radical products.

Victoria P. Barber, Fang Liu, S. Klippenstein, 2016, The Journal of chemical physics.

Cavity ringdown spectroscopy of the hydroxy-methyl-peroxy radical.

S. Sander, M. Okumura, A. McCoy, 2013, The journal of physical chemistry. A.

A QUANTITATIVE APPROXIMATION FOR THE QUANTUM DYNAMICS OF HYDROGEN TRANSFER: TRANSITION STATE DYNAMICS AND DECAY IN CLHCL-

Mark A. Ratner, Anne B. McCoy, M. Ratner, 1994 .

Perturbative calculations of vibrational (J=0) energy levels of linear molecules in normal coordinate representations

A. McCoy, E. Sibert, 1991 .

Surface hopping study of the photodissociation dynamics of ICN− and BrCN−

A. McCoy, Bernice Opoku-Agyeman, 2018 .

Persistence of dual free internal rotation in NH4(+)(H2O)·Hen=0-3 ion-molecule complexes: expanding the case for quantum delocalization in He tagging.

Mark A. Johnson, Christopher J. Johnson, A. McCoy, 2015, The journal of physical chemistry. A.

Developments in theoretical chemistry.

Gustavo E Scuseria, Anne B McCoy, G. Scuseria, 2014, The journal of physical chemistry. A.

The role of electrical anharmonicity in the association band in the water spectrum.

A. McCoy, 2014, The journal of physical chemistry. B.

Editorial for January 2019 for JPC A/B/C.

George C Schatz, Joan-Emma Shea, Anne B McCoy, 2011, Journal of Physical Chemistry B.

Time-dependent quantum studies of the O(3P)+HCl(X 1Σ+) reaction

C. Kalyanaraman, A. McCoy, Lichang Wang, 1999 .

Virtual Issue on New Tools and Methods in Physical Chemistry Research.

A. McCoy, 2020, The journal of physical chemistry. A.

An accurate quartic force field for formaldehyde

Darin C. Burleigh, A. McCoy, E. Sibert, 1996 .

The bending dynamics of acetylene

A. McCoy, E. Sibert, 1996 .

Fluorescence branching ratios and magnetic tuning of the visible spectrum of SrOH

Meng Huang, T. Steimle, A. McCoy, 2017, 1711.08033.

Confronting Racism in Chemistry Journals

Scott J. Miller, Thomas F. Hofmann, Sarah B. Tegen, 2020, ACS Central Science.

Confronting Racism in Chemistry Journals

Scott J. Miller, Thomas F. Hofmann, Sarah B. Tegen, 2020, ACS Omega.

Confronting Racism in Chemistry Journals.

Scott J. Miller, Thomas F. Hofmann, Sarah B. Tegen, 2020, ACS Applied Bio Materials.

Confronting Racism in Chemistry Journals.

Scott J. Miller, Thomas F. Hofmann, Sarah B. Tegen, 2020, The Journal of organic chemistry.

Confronting Racism in Chemistry Journals.

Scott J. Miller, Thomas F. Hofmann, Sarah B. Tegen, 2020, Journal of the American Chemical Society.

Confronting Racism in Chemistry Journals.

Scott J. Miller, Thomas F. Hofmann, Sarah B. Tegen, 2020, ACS combinatorial science.

Confronting Racism in Chemistry Journals.

Scott J. Miller, Thomas F. Hofmann, Sarah B. Tegen, 2020, Biomacromolecules.

Update to Our Reader, Reviewer, and Author Communities-April 2020.

Scott J. Miller, Thomas F. Hofmann, Bryan W. Brooks, 2020, Journal of proteome research.

Femtosecond dynamics of Cu(H(2)O)(2).

W. C. Lineberger, Mark S. Taylor, A. McCoy, 2005, The Journal of chemical physics.

Photofragmentation dynamics of ICN(-)(CO2)n clusters following visible excitation.

W. C. Lineberger, Joshua P. Darr, A. McCoy, 2013, The Journal of chemical physics.

Origin of the diffuse vibrational signature of a cyclic intramolecular proton bond: Anharmonic analysis of protonated 1,8-disubstituted naphthalene ions.

Mark A. Johnson, Andrew F. DeBlase, K. Jordan, 2013, The Journal of chemical physics.

Sub-Doppler infrared spectroscopy of CH2D radical in a slit supersonic jet: isotopic symmetry breaking in the CH stretching manifold.

D. Nesbitt, A. McCoy, F. Dong, 2012, The Journal of chemical physics.

Perturbative approaches to highly excited molecular vibrations of H2O, D2O, and HDO

A. McCoy, Edwin L. Silbert, 1990 .

Comparison of the local binding motifs in the imidazolium-based ionic liquids [EMIM][BF4] and [EMMIM][BF4] through cryogenic ion vibrational predissociation spectroscopy: Unraveling the roles of anharmonicity and intermolecular interactions.

Mark A. Johnson, Christopher J. Johnson, A. McCoy, 2015, The Journal of chemical physics.

Modelling rotations, vibrations, and rovibrational couplings in astructural molecules – a case study based on the H+5 molecular ion

A. Császár, A. McCoy, Zhou Lin, 2015 .

Femtosecond study of Cu(H(2)O) dynamics.

W. C. Lineberger, Mark S. Taylor, A. McCoy, 2004, The Journal of chemical physics.

Disentangling the Complex Vibrational Spectrum of the Protonated Water Trimer, H+(H2O)3, with Two-Color IR-IR Photodissociation of the Bare Ion and Anharmonic VSCF/VCI Theory.

Mark A. Johnson, J. Bowman, Qi Yu, 2017, The journal of physical chemistry letters.

Isolation of site-specific anharmonicities of individual water molecules in the I - ·(H 2 O) 2 complex using tag-free, isotopomer selective IR-IR double resonance

Marvin Johnson, A. McCoy, P. Kelleher, 2017 .

Minimum Energy Path Diffusion Monte Carlo Approach for Investigating Anharmonic Quantum Effects: Applications to the CH3+ + H2 Reaction

A. McCoy, Charlotte E. Hinkle, 2010 .

Theoretical investigations of mode mixing in vibrationally excited states of CH5+.

A. McCoy, Charlotte E. Hinkle, 2009, The journal of physical chemistry. A.

Characterizing excited states of CH5+ with diffusion Monte Carlo.

A. McCoy, Charlotte E. Hinkle, 2008, The journal of physical chemistry. A.

Comment on "Nature of the chemical bond in protonated methane".

J. Bowman, A. McCoy, Xinchuan Huang, 2007, The journal of physical chemistry. A.

Evolution of structure in CH5 + and its deuterated analogues.

A. McCoy, L. M. Johnson, 2006, The journal of physical chemistry. A.

Deuteration effects on the structure and infrared spectrum of CH5(+).

J. Bowman, A. McCoy, Xinchuan Huang, 2006, Journal of the American Chemical Society.

Ab initio diffusion Monte Carlo calculations of the quantum behavior of CH5+ in full dimensionality

B. Braams, J. Bowman, A. McCoy, 2004 .

Probing the dependence of long-range, four-atom interactions on intermolecular orientation: 3. Hydrogen and iodine.

Joshua P. Darr, A. McCoy, R. A. Loomis, 2011, The journal of physical chemistry. A.

Stabilization and rovibronic spectra of the T-shaped and linear ground-state conformers of a weakly bound rare-gas-homonuclear dihalogen complex: He...Br2.

J. Herbert, A. McCoy, D. Strasfeld, 2005, The Journal of chemical physics.

Unraveling anharmonic effects in the vibrational predissociation spectra of H5O2(+) and its deuterated analogues.

Mark A. Johnson, A. McCoy, T. Guasco, 2011, The journal of physical chemistry. A.

An H/D isotopic substitution study of the H5O2+.Ar vibrational predissociation spectra: exploring the putative role of Fermi resonances in the bridging proton fundamentals.

Mark A. Johnson, J. Roscioli, A. McCoy, 2008, The journal of physical chemistry. B.

Quantum/classical studies of O(3P)+Ar⋅HCl collision dynamics

A. McCoy, Lichang Wang, 2003 .

Vibrational Signatures of HNO3 Acidity When Complexed with Microhydrated Alkali Metal Ions, M+·(HNO3)(H2O)n=5 (M = Li, K, Na, Rb, Cs), at 20 K.

Tae Hoon Choi, Mark A. Johnson, K. Jordan, 2022, The journal of physical chemistry. A.

Beyond Badger's Rule: The Origins and Generality of the Structure-Spectra Relationship of Aqueous Hydrogen Bonds.

Mark A. Boyer, O. Marsalek, Josef Heindel, 2019, Journal of Physical Chemistry Letters.

A combined experimental/theoretical investigation of the He + ICl interactions: Determination of the binding energies of the T-shaped and linear He⋯I35Cl(X,v″= 0) conformers

Joshua P. Darr, A. McCoy, David S. Boucher, 2004 .

Unraveling the Anomalous Solvatochromic Response of the Formate Ion Vibrational Spectrum: An Infrared, Ar-Tagging Study of the HCO2¯, DCO2¯, and HCO2¯·H2O Ions

Andrew F. DeBlase, K. Jordan, A. McCoy, 2011 .

Computational molecular spectroscopy

Frank Neese, Vincenzo Barone, David C. Clary, 2021, Nature Reviews Methods Primers.

Hidden role of intermolecular proton transfer in the anomalously diffuse vibrational spectrum of a trapped hydronium ion

Mark A. Johnson, F. Menges, A. McCoy, 2017, Proceedings of the National Academy of Sciences.

Fundamental excitations of the shared proton in the H3O2- and H5O2+ complexes.

Mark A. Johnson, Joseph R Roscioli, Anne B McCoy, 2005, The journal of physical chemistry. A.

Vibrational spectroscopy of the water-nitrate complex in the O-H stretching region.

Eric G. Kratz, K. Jordan, K. Asmis, 2014, The journal of physical chemistry. A.

Vibrationally induced proton transfer in F- (H2O) and F- (D2O).

Mark A. Johnson, J. Roscioli, Samantha Horvath, 2008, The journal of physical chemistry. A.

Anharmonicities and isotopic effects in the vibrational spectra of X-.H2O, .HDO, and .D2O [X = Cl, Br, and I] binary complexes.

Mark A. Johnson, Ben M. Elliott, J. Roscioli, 2010, The journal of physical chemistry. A.

Prying apart a water molecule with anionic H-bonding: a comparative spectroscopic study of the X-.H2O (X = OH, O, F, Cl, and Br) binary complexes in the 600-3800 cm(-1) region.

Mark A. Johnson, J. Roscioli, Samantha Horvath, 2006, The journal of physical chemistry. A.

Argon predissociation spectroscopy of the OH-.H2O and Cl-.H2O complexes in the 1000-1900 cm(-1) region: intramolecular bending transitions and the search for the shared-proton fundamental in the hydroxide monohydrate.

Mark A. Johnson, S. Carter, J. Bowman, 2005, The journal of physical chemistry. A.

Vibrational manifestations of strong non-Condon effects in the H3O(+)·X3 (X = Ar, N2, CH4, H2O) complexes: a possible explanation for the intensity in the "association band" in the vibrational spectrum of water.

Mark A. Johnson, A. McCoy, Christopher M. Leavitt, 2012, Physical chemistry chemical physics : PCCP.

Time resolved solvent rearrangement dynamics.

W. C. Lineberger, Django H. Andrews, Mark S. Taylor, 2004, Faraday discussions.

Spectroscopic snapshots of the proton-transfer mechanism in water

Kenneth D. Jordan, Mark A. Johnson, Joseph A. Fournier, 2016, Science.

Infrared spectroscopy of the mass 31 cation: protonated formaldehyde vs methoxy.

T. C. Cheng, A. McCoy, M. Duncan, 2012, The journal of physical chemistry. A.

Infrared spectroscopy of the methanol cation and its methylene-oxonium isomer.

A. McCoy, M. Duncan, J. D. Mosley, 2015, The Journal of chemical physics.

The vibrational predissociation spectra of the H5O2 +RGn(RG = Ar,Ne) clusters: correlation of the solvent perturbations in the free OH and shared proton transitions of the Zundel ion.

Joel M Bowman, Mark A. Johnson, Kenneth D Jordan, 2005, The Journal of chemical physics.

IR spectroscopy and theory of Cu+(H2O)Ar2 and Cu+(D2O)Ar2 in the O-H (O-D) stretching region: fundamentals and combination bands.

A. McCoy, P. D. Carnegie, M. Duncan, 2009, The journal of physical chemistry. A.

Hiding in Plain Sight: Unmasking the Diffuse Spectral Signatures of the Protonated N-Terminus in Isolated Dipeptides Cooled in a Cryogenic Ion Trap

Andrew F. DeBlase, Christopher J. Johnson, Marvin Johnson, 2013 .

Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled H9O4+ Cation with Two-Color, IR-IR Double-Resonance Photoexcitation: Isolating the Spectral Signature of a Single OH Group in the Hydronium Ion Core.

Mark A. Johnson, K. Jordan, J. Bowman, 2018, The journal of physical chemistry. A.

Isotope Effects on Ground and Excited States of Ethyl Cation, H+(C2H4).

A. McCoy, Jacob M Finney, Pattarapon Moonkaen, 2023, The journal of physical chemistry. A.

Fast Near Ab Initio Potential Energy Surfaces Using Machine Learning.

Thomas F. Miller, Sebastian J. R. Lee, A. McCoy, 2022, The journal of physical chemistry. A.

Quantum Deconstruction of the Infrared Spectrum of CH5+

D. Nesbitt, J. Bowman, A. McCoy, 2006, Science.

Infrared spectroscopy and theory of the formaldehyde cation and its hydroxymethylene isomer.

A. McCoy, M. Duncan, J. D. Mosley, 2016, The Journal of chemical physics.

Photoelectron spectroscopy of the hydroxymethoxide anion, H2C(OH)O.

W. C. Lineberger, A. McCoy, Allan M Oliveira, 2016, The Journal of chemical physics.

Experimental and Theoretical Studies of the F• + H-F Transition-State Region by Photodetachment of [F-H-F].

Xue‐Bin Wang, A. McCoy, W. T. Borden, 2017, The journal of physical chemistry. A.

The structure of floppy molecules: the Rg·XH/D (Rg=Ar, Ne, and Kr, X=O or S) family of complexes

Hee-Seung Lee, C. Carter, A. McCoy, 2000 .

High-resolution vibrational predissociation spectroscopy of I− · H2O by single-mode CW infrared excitation in a 3D cryogenic ion trap

Meng Huang, A. McCoy, Sean C. Edington, 2023, Molecular Physics.

Character of the OH Bend-Stretch Combination Band in the Vibrational Spectra of the "Magic" Number H3O+(H2O)20 and D3O+(D2O)20 Cluster Ions.

A. McCoy, Nan Yang, MarkE. Johnson, 2022, The journal of physical chemistry letters.

Determination of Noncovalent Docking by Infrared Spectroscopy of Cold Gas-Phase Complexes

Mark A. Johnson, Scott J. Miller, Arron B. Wolk, 2012, Science.

Probing the dependence of long-range, four-atom interactions on intermolecular orientation. 1. Molecular hydrogen and iodine monochloride.

Joshua P. Darr, A. McCoy, Andrew C. Crowther, 2007, The journal of physical chemistry. A.

Quantum, semiclassical and classical dynamics of the bending modes of acetylene

E. Sibert, A. McCoy, 1996 .

Diffuse Vibrational Signature of a Single Proton Embedded in the Oxalate Scaffold, HO2CCO2(-).

Mark A. Johnson, Andrew F. DeBlase, A. McCoy, 2015, The journal of physical chemistry. A.

Exploring the Origins of Spectral Signatures of Strong Hydrogen Bonding in Protonated Water Clusters.

A. McCoy, Rachel M Huchmala, 2022, The journal of physical chemistry. A.

Near-Infrared Spectroscopy and Anharmonic Theory of Protonated Water Clusters: Higher Elevations in the Hydrogen Bonding Landscape.

A. McCoy, M. Duncan, D. C. McDonald, 2018, The journal of physical chemistry letters.

Rotation-vibration interactions in (HF) 2 . I. Using parallel supercomputers to calculate rotation-vibration energy levels

E. F. Hayes, A. McCoy, Xudong Wu, 1999 .

ROTATION-VIBRATION INTERACTIONS IN (HF)2. II. ROTATION-VIBRATION INTERACTIONS IN LOW-LYING VIBRATIONAL STATES

E. F. Hayes, A. McCoy, Xudong Wu, 1999 .

Experimental and theoretical investigations of the He...I2 rovibronic spectra in the I2 B-X, 20-0 region.

Joshua P. Darr, J. R. Lancaster, A. McCoy, 2006, The Journal of chemical physics.

The dissociation dynamics of He...I 35Cl(B,v'=2,3) complexes with varying amounts of internal energy.

Joshua P. Darr, A. McCoy, R. A. Loomis, 2005, The Journal of chemical physics.

Combined experimental/theoretical investigation of the He+ICl interactions. I. Rovibronic spectrum of He...ICl complexes in the ICl B-X, 3-0 region.

Joshua P. Darr, A. McCoy, David S. Boucher, 2004, The Journal of chemical physics.

Potential energy surfaces and properties of ICN− and ICN

A. McCoy, 2013 .

New view of the ICN A continuum using photoelectron spectroscopy of ICN-.

W. C. Lineberger, E. Miller, A. McCoy, 2012, The Journal of chemical physics.

Characterization of the primary hydration shell of the hydroxide ion with H2 tagging vibrational spectroscopy of the OH- ⋅ (H2O)n=2,3 and OD- ⋅ (D2O)n=2,3 clusters.

Mark A. Johnson, K. Jordan, A. McCoy, 2016, The Journal of chemical physics.

Vibrationally induced charge transfer in a bimolecular model complex in vacuo.

A. McCoy, Benjamin J. Knurr, J. M. Weber, 2013, The Journal of chemical physics.

Disentangling the Complex Vibrational Mechanics of the Protonated Water Trimer by Rational Control of Its Hydrogen Bonds.

Mark A. Johnson, J. Bowman, Qi Yu, 2019, The journal of physical chemistry. A.

Large-amplitude quantum mechanics in polyatomic hydrides. II. A particle-on-a-sphere model for XH(n) (n=4,5).

M. Deskevich, D. Nesbitt, A. McCoy, 2005, The Journal of chemical physics.

An algebraic approach to calculating rotation-vibration spectra of polyatomic molecules

A. McCoy, E. Sibert, 1992 .

Nonadiabatic photofragmentation dynamics of BrCN-.

W. C. Lineberger, A. McCoy, J. H. Lehman, 2014, The Journal of chemical physics.

Dynamics of small, ultraviolet-excited ICN- cluster anions.

W. C. Lineberger, A. McCoy, A. Case, 2013, The journal of physical chemistry. A.

Dynamic mapping of CN rotation following photoexcitation of ICN-.

W. C. Lineberger, E. Miller, A. McCoy, 2012, Angewandte Chemie.

Spectral signatures of proton delocalization in H+(H2O)n=1-4 ions.

A. McCoy, Ryan J DiRisio, Laura C Dzugan, 2018, Faraday discussions.

Multiple configuration quantum/classical treatments of reaction dynamics

A. McCoy, W. Meurer, Lichang Wang, 2000 .

Coupling of torsion and OH-stretching in tert-butyl hydroperoxide. I. The cold and warm first OH-stretching overtone spectrum.

Mark A. Boyer, H. Kjaergaard, M. Lester, 2021, The Journal of chemical physics.

The Role of Tunneling in the Spectra of H5+ and D5+ up to 7300 cm-1.

Mark A. Boyer, A. McCoy, M. Duncan, 2020, The journal of physical chemistry. A.

Spectroscopic study of the ion-radical H-bond in H4O2+.

Mark A. Johnson, A. McCoy, George H. Gardenier, 2009, The journal of physical chemistry. A.

Quantum Monte Carlo studies of small B(H2)n clusters

R. Gerber, A. McCoy, M. Alexander, 1994 .

Unraveling rotation-vibration mixing in highly fluxional molecules using diffusion Monte Carlo: applications to H3+ and H3O+.

Bethany A. Wellen, A. McCoy, A. Petit, 2012, The Journal of chemical physics.

How the Shape of an H-Bonded Network Controls Proton-Coupled Water Activation in HONO Formation

Mark A. Johnson, Ben M. Elliott, Michael Z. Kamrath, 2010, Science.

Isotopic effects on the dynamics of the CH3(+) + H2 → CH5(+) → CH3(+) + H2 reaction.

A. McCoy, Charlotte E. Hinkle, 2012, The journal of physical chemistry. A.

Quantum/classical studies of photodissociation and reaction dynamics in clusters.

A. McCoy, Lichang Wang, F. Chen, 2001, Faraday discussions.

Rotation–vibration interactions in highly excited states of SO2 and H2CO

Darin C. Burleigh, A. McCoy, E. Sibert, 1991 .

Theoretical studies of the X̃ 2Π and Ã 2Σ+ states of the He⋅OH and Ne⋅OH complexes

Hee-Seung Lee, A. McCoy, R. R. Toczyłowski, 2000 .

Infrared Stark and Zeeman spectroscopy of OH-CO: The entrance channel complex along the OH + CO → trans-HOCO reaction pathway.

Tao Liang, Anne B McCoy, T. Liang, 2016, The Journal of chemical physics.

The role of large-amplitude motions in the spectroscopy and dynamics of H₅⁺.

A. McCoy, Zhou Lin, 2014, The Journal of chemical physics.

Diffusion quantum Monte Carlo on multiple-potential surfaces

A. McCoy, 2000 .

Influence of ultraviolet‐B (UV‐B) radiation on photosynthetic and growth characteristics in field‐grown cassava (Manihot esculentum Crantz)

L. Ziska, A. Teramura, J. Sullivan, 1993 .

Update to Our Reader, Reviewer, and Author Communities-April 2020.

Scott J. Miller, Thomas F. Hofmann, Bryan W. Brooks, 2020, ACS applied materials & interfaces.

Calculating rovibrationally excited states of H2D+ and HD2+ by combination of fixed node and multi-state rotational diffusion Monte Carlo

Jason E. Ford, A. McCoy, 2016 .

Solvent-mediated charge redistribution in photodissociation of IBr(-) and IBr(-)(CO2).

W. C. Lineberger, Robert Parson, Samantha Horvath, 2011, The Journal of chemical physics.

Coupling of torsion and OH-stretching in tert-butyl hydroperoxide. II. The OH-stretching fundamental and overtone spectra.

Mark A. Boyer, H. Kjaergaard, M. Lester, 2021, 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.

Viewpoint on ACS PHYS Division Sponsored Virtual Seminars.

Ryan C. Fortenberry, Anne B. McCoy, Christy F. Landes, 2021, Journal of Physical Chemistry B.

Editorial for January 2016 for JPC A/B/C.

G. Schatz, J. Shea, A. McCoy, 2013, The journal of physical chemistry. B.

Quantum and classical studies of vibrational motion of CH5+ on a global potential energy surface obtained from a novel ab initio direct dynamics approach.

Alex Brown, Joel M Bowman, Anne B McCoy, 2004, The Journal of chemical physics.

Rate of Gas Phase Association of Hydroxyl Radical and Nitrogen Dioxide

Andrew K. Mollner, D. B. Milligan, R. Harley, 2010, Science.

Confronting Racism in Chemistry Journals.

Scott J. Miller, Thomas F. Hofmann, Sarah B. Tegen, 2020, ACS applied materials & interfaces.

Manifestations of Torsion-CH Stretch Coupling in the Infrared Spectrum of CH3OO.

Meng Huang, A. McCoy, T. Miller, 2016, The journal of physical chemistry. A.

Effect of methyl rotation on the electronic spectrum of the methyl peroxy radical.

A. McCoy, T. Miller, Gabriel M. P. Just, 2007, Journal of Chemical Physics.

Effects of complex formation on reactions of oxygen with HCl and Ar–HCl

A. McCoy, M. Lufaso, 1998 .

Reactions of oxygen atoms with van der Waals complexes: The effect of complex formation on the internal energy distribution in the products

R. Naaman, A. McCoy, M. Veneziani, 1998 .

Classical treatments of quantum mechanical effects in collisions of weakly bound complexes

A. McCoy, José G López, 2005 .

Reactivity induced by complex formation: The reaction of O(3P) with HCl dimers

R. Naaman, A. McCoy, P. Stern, 1997 .

Dynamics of photoinduced reactions in hydrogen-bonded clusters: classical studies of the photodissociation of hydrogen chloride dimer

A. McCoy, R. Gerber, Y. Hurwitz, 1993 .

Theoretical investigations of the lifetime of SH and SD (Ã 2Σ+) in M⋯SH/D (M=Ne,Ar,Kr) complexes

A. McCoy, 1998 .

Time-dependent wave packet studies on the Cl + HCl hydrogen exchange reaction.

A. McCoy, G. Vissers, 2006, The journal of physical chemistry. A.

Modeling the CH Stretch/Torsion/Rotation Couplings in Methyl Peroxy (CH3OO).

Meng Huang, A. McCoy, T. Miller, 2017, The journal of physical chemistry. A.

High resolution electronic spectroscopy and an empirical potential energy surface for Ne⋅SH/D

E. F. Hayes, Hee-Seung Lee, C. Carter, 1999 .

High resolution electronic spectroscopy of Kr⋅OH/D and an empirical potential energy surface

E. F. Hayes, Hee-Seung Lee, C. Carter, 1999 .

Workshop on Mathematical Methods in Quantum Molecular Dynamics 28 April – 3 May 2013 MEALS

G. Hagedorn, V. Szalay, U. Manthe, 2013 .

Curious properties of the Morse oscillator

A. McCoy, 2011 .

Using fixed-node diffusion Monte Carlo to investigate the effects of rotation-vibration coupling in highly fluxional asymmetric top molecules: application to H2D+.

Bethany A. Wellen, A. McCoy, A. Petit, 2013, The Journal of chemical physics.

Quantum Monte Carlo studies of the structure and spectroscopy of NenOH (Ã 2Σ+, n=1–4) van der Waals complexes

Hee-Seung Lee, A. McCoy, 2001 .

Structure and spectroscopy of NenSH (Ã 2Σ+) complexes using adiabatic diffusion Monte Carlo (ADMC)

J. Herbert, Hee-Seung Lee, A. McCoy, 1999 .

Probing the Relationship Between Large-Amplitude Motions in H5(+) and Proton Exchange Between H3(+) and H2.

A. McCoy, Zhou Lin, 2015, The journal of physical chemistry. A.

Rotation/Torsion Coupling in H5(+), D5(+), H4D(+), and HD4(+) Using Diffusion Monte Carlo.

A. McCoy, Zhou Lin, Melanie Marlett, 2015, The journal of physical chemistry. A.

A virtual special issue “ Spectroscopy and Dynamics of Medium-Sized Molecules and Clusters : Theory , Experiment , and Applications ”

A. McCoy, Zhou Lin, Melanie Marlett, 2015 .

Investigation of the structure and spectroscopy of H5(+) using diffusion Monte Carlo.

A. McCoy, Zhou Lin, 2013, The journal of physical chemistry. A.

Diffusion Monte Carlo Studies on the Detection of Structural Changes in the Water Hexamer Upon Isotopic Substitution.

Mark A. Boyer, A. McCoy, Victor G. M. Lee, 2020, The journal of physical chemistry. A.

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.

Spectroscopic characterization of peroxynitrous acid in cis-perp configurations.

Ian M. Konen, Eunice X. J. Li, M. Lester, 2006, The journal of physical chemistry. A.

Evaluation of Matrix Elements Using Diffusion Monte Carlo Wave Functions.

A. McCoy, Victor G. M. Lee, L. Madison, 2019, The journal of physical chemistry. A.

A theoretical and computational study of the anion, neutral, and cation Cu(H2O) complexes

W. C. Lineberger, A. McCoy, F. Muntean, 2004 .

Using Diffusion Monte Carlo Wave Functions to Analyze the Vibrational Spectra of H7O3+ and H9O4.

A. McCoy, Ryan J DiRisio, Laura C Dzugan, 2021, The journal of physical chemistry. A.

Isotope Effects in the Zundel-Eigen Isomerization of H+(H2O)6.

Tae Hoon Choi, K. Jordan, Josef Heindel, 2023, The journal of physical chemistry letters.

Guided Diffusion Monte Carlo: A Method for Studying Molecules and Ions That Display Large Amplitude Vibrational Motions.

A. McCoy, Ryan J DiRisio, Jacob M Finney, 2020, The journal of physical chemistry. A.

Full-dimensional vibrational calculations for H5O2+ using an ab initio potential energy surface.

Joel M Bowman, Xinchuan Huang, Anne B McCoy, 2005, The Journal of chemical physics.

Observation of Slow Eigen-Zundel Interconversion in H+(H2O)6 Clusters upon Isomer-Selective Vibrational Excitation and Buffer Gas Cooling in a Cryogenic Ion Trap.

A. McCoy, Nan Yang, Sean C. Edington, 2023, Journal of the American Society for Mass Spectrometry.

Electronic and mechanical anharmonicities in the vibrational spectra of the H-bonded, cryogenically cooled X- · HOCl (X=Cl, Br, I) complexes: Characterization of the strong anionic H-bond to an acidic OH group.

Mark A. Boyer, Mark A. Johnson, A. McCoy, 2022, Journal of Chemical Physics.

Preparation and Characterization of the Halogen-Bonding Motif in the Isolated Cl-·IOH Complex with Cryogenic Ion Vibrational Spectroscopy.

Mark A. Johnson, A. McCoy, R. Gerber, 2022, Journal of Physical Chemistry Letters.

Diffusion Monte Carlo approaches for investigating the structure and vibrational spectra of fluxional systems

A. McCoy, 2006 .

Quantum studies of the vibrations in H3O2- and D3O2-.

Joel M Bowman, Xinchuan Huang, Anne B McCoy, 2005, The Journal of chemical physics.

Generating spectra from ground-state wave functions: unraveling anharmonic effects in the OH- x H2O vibrational predissociation spectrum.

Anne B. McCoy, Marvin Johnson, Eric G. Diken, 2009, The journal of physical chemistry. A.

An Efficient Approach for Studies of Water Clusters Using Diffusion Monte Carlo.

A. McCoy, Victor G. M. Lee, 2019, The journal of physical chemistry. A.

Signatures of Large-Amplitude Vibrations in the Spectra of H5+ and D5+

A. McCoy, Zhou Lin, 2012 .

Diffusion Monte Carlo approaches for evaluating rotationally excited states of symmetric top molecules: application to H(3)O(+) and D(3)O(+).

A. McCoy, A. Petit, 2009, The journal of physical chemistry. A.

Why does argon bind to deuterium? Isotope effects and structures of Ar x H5O2(+) complexes.

Mark A. Johnson, J. Roscioli, A. McCoy, 2008, The journal of physical chemistry. A.

Transition State Dynamics of Arn(ClHCl) (n = 0−5): Effects of Complex Formation on the Dynamics and Spectroscopy

A. McCoy, Holly B. Lavender, 2000 .

High-Resolution Photoelectron Spectroscopy of Vibrationally Excited Vinoxide Anions.

D. Neumark, K. Asmis, A. McCoy, 2023, The journal of physical chemistry. A.

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.

Molecular parameters for 12C and 13C-methanol isotopomers with O-16, 17, and 18

Yun-Bo Duan, Kojiro Takagi, Anne B. McCoy, 2000 .

Determining potential‐energy surfaces from spectra: An iterative approach

A. McCoy, E. Sibert, 1992 .

Calculation of infrared intensities of highly excited vibrational states of HCN using Van Vleck perturbation theory

A. McCoy, E. Sibert, 1991 .

Adiabatic diffusion Monte Carlo approaches for studies of ground and excited state properties of van der Waals complexes

J. Herbert, Hee-Seung Lee, A. McCoy, 1999 .

ROTATION–VIBRATION MIXING OF HIGHLY EXCITED STATES

Darin C. Burleigh, A. McCoy, E. Sibert, 1995 .

Using Diffusion Monte Carlo to Evaluate the Initial Conditions for Classical Studies of the Photodissociation Dynamics of HCl Dimer

A. McCoy, B. Auer, 2003 .

An empirical potential energy surface for the Ne-OH/D complexes

Hee-Seung Lee, C. Carter, A. McCoy, 1999 .

Update to Our Reader, Reviewer, and Author Communities - April 2020

Sébastien Lecommandoux, Harry A. Atwater, Kenneth M. Merz, 2020, Journal of Chemical Information and Modeling.

Correction to "Role of Torsion-Vibration Coupling in the Overtone Spectrum and Vibrationally Mediated Photochemistry of CH3OOH and HOOH".

A. McCoy, Jamie Matthews, A. Sinha, 2018, The journal of physical chemistry. A.

Diffusion Monte Carlo in internal coordinates.

A. McCoy, A. Petit, 2013, The journal of physical chemistry. A.

Characterization of the Oxazolone and Macrocyclic Motifs in the bn (n = 2-5) Product Ions from Collision-Induced Dissociation of Protonated Oligoglycine Peptides with Isomer-Selective, Cryogenic Vibrational Spectroscopy.

M. V. van Stipdonk, A. McCoy, Franziska Dahlmann, 2023, Journal of the American Society for Mass Spectrometry.

Exploring the Origins of the Intensity of the OH Stretch-HOH Bend Combination Band in Water.

A. McCoy, Rachel M Huchmala, 2023, The journal of physical chemistry. A.

Cavity ringdown spectroscopy of the hydroxy-methyl-peroxy radical.

S. Sander, M. Okumura, A. McCoy, 2013, The journal of physical chemistry. A.

Statistical Analysis of the Effect of Deuteration on Quantum Delocalization in CH5.

A. McCoy, Meredith Fore, 2019, The journal of physical chemistry. A.

Theoretical studies of rotational and spin orbit predissociation of the Ne·XH (X̃ 2Π, X = O,S) van der Waals complexes.

Hee-Seung Lee, A. McCoy, 2002 .

Editorial for January 2016 for JPC A/B/C.

G. Schatz, J. Shea, A. McCoy, 2014, The journal of physical chemistry. A.