C. Hadad

发表

Resurrection and Reactivation of Acetylcholinesterase and Butyrylcholinesterase.

Shubham Vyas, Andrew J Franjesevic, Sydney B Sillart, 2019, Chemistry.

Light-Activated Chemical Probing of Nucleobase Solvent Accessibility Inside Cells

William H Coldren, R. Spitale, Ivan R. Corrêa, 2018, Nature chemical biology.

Comparison of different atomic charge schemes for predicting pKa variations in substituted anilines and phenols

Christopher M. Hadad, Kevin C. Gross, Paul G. Seybold, 2002 .

On the Transfer of Chirality, Thermodynamic Stability, and Folding Characteristics of Stereoisomeric Gated Baskets

J. Badjić, C. Hadad, Lei Hu, 2015 .

Two-Dimensional Supramolecular Polymers Embodying Large Unilamellar Vesicles in Water.

J. Badjić, C. Hadad, Shane M. Polen, 2016, Journal of the American Chemical Society.

C−O and C−S Bonds: Stability, Bond Dissociation Energies, and Resonance Stabilization

K. Wiberg, C. Hadad, P. Rablen, 1998 .

Insights on Absolute and Relative Stereocontrol in Stereodivergent Cooperative Catalysis.

R. B. Sunoj, Avtar Changotra, Bangaru Bhaskararao, 2020, Journal of the American Chemical Society.

Origin of stereoselectivity in the amination of alcohols using cooperative asymmetric dual catalysis involving chiral counter-ions† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8sc01433g

R. B. Sunoj, C. Hadad, Soumi Tribedi, 2018, Chemical science.

The fragmentation pathways of protonated glycine: A computational study

R. O'hair, C. Hadad, Michelle L. Styles, 2000, Journal of the American Society for Mass Spectrometry.

Flowing afterglow study of the gas phase nucleophilic reactions of some formyl, acetyl and cyclic esters

C. Hadad, Brian T. Frink, 1999 .

Mechanistic Studies of Electrode-Assisted Catalytic Oxidation by Flavinium and Acridinium Cations

Xin Yang, C. Hadad, K. Glusac, 2014 .

Concomitant nitrene and carbene insertion accompanying ring expansion: spectroscopic, X-ray, and computational studies.

William H Coldren, T. N. Guru Row, S. Eswaran, 2014, The Journal of organic chemistry.

Superoxide radical anion adduct of 5,5-dimethyl-1-pyrroline n-oxide (DMPO). 1. The thermodynamics of formation and its acidity.

J. Zweier, F. Villamena, C. Hadad, 2005, The journal of physical chemistry. A.

Isoproturon Reappearance after Photosensitized Degradation in the Presence of Triplet Ketones or Fulvic Acids.

Linda K. Weavers, S. Canonica, Y. Chin, 2016, Environmental science & technology.

Synthesis and characterization of amino derivatives of persistent trityl radicals as dual function pH and oxygen paramagnetic probes.

J. Zweier, C. Hadad, A. Bobko, 2008, Journal of the American Chemical Society.

Conformational analysis of methyl 5-O-methyl septanosides: effect of glycosylation on conformer populations.

D. Baldisseri, M. Peczuh, M. Morton, 2006, Carbohydrate research.

The chemistry of reactive radical intermediates in combustion and the atmosphere

C. Hayes, C. Hadad, John K. Merle, 2009 .

Theory and Computation in the Study of Nitrenes and their Excited‐State Photoprecursors

Shubham Vyas, C. Hadad, A. Winter, 2013 .

A laser flash photolysis and quantum chemical study of the fluorinated derivatives of singlet phenylnitrene.

N. Gritsan, C. Hadad, Z. Zhu, 2001, Journal of the American Chemical Society.

SPECTROSCOPIC AND COMPUTATIONAL STUDIES OF PERFLUOROPHENYL AND PERFLUORO-2-NAPHTHYL NITRENES IN SHPOLSKII MATRIXES

C. Hadad, H. Zhai, Z. Zhu, 1999 .

Laser Flash Photolysis and Computational Study of Singlet Phenylnitrene

N. Gritsan, Zhendong Zhu, C. Hadad, 1999 .

Assembly of amphiphilic baskets into stimuli-responsive vesicles. Developing a strategy for the detection of organophosphorus chemical nerve agents.

Veselin Maslak, J. Badjić, C. Hadad, 2013, Journal of the American Chemical Society.

Right- and Left-Handed Helices, What is in between? Interconversion of Helical Structures of Alternating Pyridinedicarboxamide/m-(phenylazo)azobenzene Oligomers.

Peng Tao, J. Parquette, C. Hadad, 2012, Journal of chemical theory and computation.

Computational Methods for the Study of Carbenes and their Excited States

Shubham Vyas, H. Luk, C. Hadad, 2013 .

Electronic properties of 4-substituted naphthalimides.

Guifeng Li, Shubham Vyas, C. Hadad, 2009, The journal of physical chemistry. A.

Photochemical fate of sulfadimethoxine in aquaculture waters.

J. Guerard, Y. Chin, C. Hadad, 2009, Environmental science & technology.

Oxidation of oleic acid at air/liquid interfaces

H. Allen, C. Hadad, L. Voss, 2007 .

Stereoselectivity in the epoxidation of carbohydrate-based oxepines.

Shijing Xia, M. Peczuh, M. Morton, 2008, The Journal of organic chemistry.

Computational analysis of the potential energy surfaces of glycerol in the gas and aqueous phases: effects of level of theory, basis set, and solvation on strongly intramolecularly hydrogen-bonded systems.

S. J. Singer, T. Lowary, C. Callam, 2001, Journal of the American Chemical Society.

A stereodynamic and redox-switchable encapsulation-complex containing a copper ion held by a tris-quinolinyl basket.

Daniel A. Turner, A. Flood, J. Badjić, 2012, Chemical communications.

Russian Nesting Doll Complexes of Molecular Baskets and Zinc Containing TPA Ligands.

J. Badjić, C. Hadad, T. V. RajanBabu, 2016, Journal of the American Chemical Society.

Reaction of hydroxyl radical with aromatic hydrocarbons in nonaqueous solutions: A laser flash photolysis study in acetonitrile.

Xiaofeng Shi, J. S. Poole, C. Hadad, 2005, The journal of physical chemistry. A.

A double-acceptor as a superior organic dye design for p-type DSSCs: high photocurrents and the observed light soaking effect.

Zhongjie Huang, Yiying Wu, C. Hadad, 2014, Physical chemistry chemical physics : PCCP.

Large-scale synthesis of a persistent trityl radical for use in biomedical EPR applications and imaging.

J. Zweier, F. Villamena, M. Velayutham, 2007, Bioorganic & medicinal chemistry letters.

Multivalent C-H···Cl/Br-C Interactions Directing the Resolution of Dynamic and Twisted Capsules.

J. Gallucci, J. Badjić, C. Hadad, 2019, Chemistry.

Oxidative dehalogenation of perhalogenated benzenes by cytochrome P450 compound I.

C. Hadad, J. Hackett, Toby T Sanan, 2007, Biochemistry.

Water-free rare earth-Prussian blue type analogues: synthesis, structure, computational analysis, and magnetic data of {Ln(III)(DMF)(6)Fe(III)(CN)(6)}(infinity) (Ln = rare earths excluding Pm).

C. Hadad, K. Dunbar, Xuenian Chen, 2009, Inorganic chemistry.

Reactivity of superoxide radical anion with cyclic nitrones: role of intramolecular H-bond and electrostatic effects.

J. Zweier, Shijing Xia, F. Villamena, 2007, Journal of the American Chemical Society.

Reactivity of Hydroxyl Radical in Nonaqueous Phases: Addition Reactions.

Shijing Xia, H. Luk, J. S. Poole, 2018, The journal of physical chemistry. A.

The chemistry of reactive radical intermediates in combustion and the atmosphere

Carrigan J. Hayes, C. Hayes, C. Hadad, 2010 .

Birch reductive alkylation of methyl m-(hydroxymethyl)benzoate derivatives and the behavior of o- and p-(hydroxymethyl)benzoates under reductive alkylation conditions.

D. Hart, Shubham Vyas, C. Hadad, 2013, The Journal of organic chemistry.

The reaction of triplet nitrenes with oxygen: a computational study.

C. Hadad, M. Platz, Jin Liu, 2005, Organic letters.

Light-activated chemical probing of nucleobase solvent accessibility inside cells.

William H Coldren, R. Spitale, Ivan R. Corrêa, 2018, Nature chemical biology.

Observation of the Ã − X̃ Electronic Transition of the 1-C 3 H 7 O 2 and 2-C 3 H 7 O 2 Radicals Using Cavity Ringdown Spectroscopy

C. Hayes, C. Hadad, T. Miller, 2004 .

Computational Study of the Unimolecular Decomposition Pathways of Phenylperoxy Radical

C. Hadad, Michael J. Fadden, Cynthia Barckholtz, 2000 .

A computational exploration of the oxygen reduction reaction over a carbon catalyst containing a phosphinate functional group.

Elizabeth J. Biddinger, U. Ozkan, C. Hadad, 2010, Chemical communications.

Spin trapping of hydroperoxyl radical by a cyclic nitrone conjugated to β-cyclodextrin: a computational study

Peng Tao, F. Villamena, C. Hadad, 2012, Theoretical Chemistry Accounts.

Mechanism of N(5)-ethyl-flavinium cation formation upon electrochemical oxidation of N(5)-ethyl-4a-hydroxyflavin pseudobase.

Samuel F. Manzer, Shubham Vyas, C. Hadad, 2010, The journal of physical chemistry. B.

Computational study of the Curtius-like rearrangements of phosphoryl, phosphinyl, and phosphinoyl azides and their corresponding nitrenes.

C. Hadad, M. Platz, R. McCulla, 2007, The Journal of organic chemistry.

Reactivity of molecular oxygen with ethoxycarbonyl derivatives of tetrathiatriarylmethyl radicals.

J. Zweier, Shijing Xia, P. Kuppusamy, 2006, The Journal of organic chemistry.

Design, synthesis, and in vitro evaluation of aza-peptide aldehydes and ketones as novel and selective protease inhibitors

G. Salvesen, C. McElroy, C. Caffrey, 2020, Journal of enzyme inhibition and medicinal chemistry.

Dimeric FeFe-hydrogenase mimics bearing carboxylic acids: Synthesis and electrochemical investigation

Yiying Wu, Mingfu He, J. Gallucci, 2016 .

Pourbaix diagrams in weakly coupled systems: a case study involving acridinol and phenanthridinol pseudobases

Xin Yang, H. Luk, C. Hadad, 2016 .

Toward organic photohydrides: excited-state behavior of 10-methyl-9-phenyl-9,10-dihydroacridine.

Rony S. Khnayzer, F. Castellano, A. Krylov, 2013, The journal of physical chemistry. B.

Insights into the structure of cutin and cutan from Agave americana leaf cuticle using HRMAS NMR spectroscopy

P. Hatcher, A. Simpson, C. Hadad, 2005 .

Anion-Redox Mechanism of MoO(S2)2(2,2'-bipyridine) for Electrocatalytic Hydrogen Production.

Yiying Wu, C. Hadad, Shane M. Polen, 2017, Journal of the American Chemical Society.

[MoO(S2)2L]1- (L = picolinate or pyrimidine-2-carboxylate) Complexes as MoSx-Inspired Electrocatalysts for Hydrogen Production in Aqueous Solution.

Yiying Wu, C. Hadad, C. Durr, 2016, Journal of the American Chemical Society.

Tunable Molecular MoS2 Edge-Site Mimics for Catalytic Hydrogen Production.

Zhongjie Huang, Yiying Wu, Mingfu He, 2016, Inorganic chemistry.

The role of chirality in directing the formation of cup-shaped porphyrins and the coordination characteristics of such hosts.

Daniel A. Turner, J. Badjić, C. Hadad, 2011, Chemistry.

C-H and N-H bond dissociation energies of small aromatic hydrocarbons

T. Barckholtz, C. Hadad, Cynthia Barckholtz, 1999 .

Polymorphism, Crystal Packing, Twinning, and Molecular Conformations in 5′-Halo-5′-deoxyguanosines and a Hydrate of the Pseudohalide Analogue, 5′-Azido-5′-deoxyguanosine

William H Coldren, S. Parkin, E. Behrman, 2018, Crystal Growth & Design.

Direct Observation of an Alkylidenecarbene by Ultrafast Transient Absorption Spectroscopy.

William H Coldren, C. Hadad, D. Phillips, 2018, The journal of physical chemistry. A.

Assignment of the Ã state in bicyclobutane. The multiphoton ionization spectrum and calculations of transition energies

S. Colson, J. B. Foresman, C. Hadad, 1991 .

Excited states of carbonyl compounds. 1. Formaldehyde and acetaldehyde

J. B. Foresman, C. Hadad, K. B. Wiberg, 1993 .

The prospect of selective recognition of nerve agents with modular basket-like hosts. A structure-activity study of the entrapment of a series of organophosphonates in aqueous media.

Veselin Maslak, J. Badjić, Ryan J. Yoder, 2013, The journal of physical chemistry. B.

Computational study of the halogen atom-benzene complexes.

C. Hadad, Meng-Lin Tsao, M. Platz, 2003, Journal of the American Chemical Society.

Examining the Scope and Thermodynamics of Assembly in Nesting Complexes Comprising Molecular Baskets and TPA Ligands.

J. Badjić, C. Hadad, T. V. RajanBabu, 2017, Organic letters.

Zero-field Splitting of the Triplet Ground and Excited States of 7H-Benz[de]anthracen-7-ylidene in n-Hexane at 1.7 K: A Hole Burning Study

A. Sienkiewicz, C. Hadad, B. Kozankiewicz, 2000 .

Spectroscopic Studies of 12-Oxo-5(12H)-naphthacenylidene and 7H-Benz[de]anthracen-7-ylidene in Shpolskii Matrixes at 5 K

John R. Snoonian, C. Hadad, B. Kozankiewicz, 2000 .

Dual-cavity basket promotes encapsulation in water in an allosteric fashion.

J. Badjić, C. Hadad, Shane M. Polen, 2015, Journal of the American Chemical Society.

‘Locking’ dendrimer conformation through metal coordination

S. A. Hatcher, J. Parquette, C. Hadad, 2003 .

On the electrophilicity of hydroxyl radical: a laser flash photolysis and computational study.

P. Hatcher, Xiaofeng Shi, J. S. Poole, 2005, Journal of the American Chemical Society.

Superoxide radical anion adduct of 5,5-dimethyl-1-pyrroline N-oxide (DMPO). 2. The thermodynamics of decay and EPR spectral properties.

J. Zweier, F. Villamena, C. Hadad, 2005, The journal of physical chemistry. A.

Theoretical and experimental studies of the spin trapping of inorganic radicals by 5,5-dimethyl-1-pyrroline N-oxide (DMPO). 2. Carbonate radical anion.

J. Zweier, F. Villamena, C. Hadad, 2006, The journal of physical chemistry. A.

A close inspection of Ag(I) coordination to molecular baskets. A study of solvation and guest encapsulation in solution and the solid state

J. Gallucci, Zhiqing Yan, Shijing Xia, 2009 .

Gated molecular baskets.

J. Badjić, C. Hadad, Alex M Hardin, 2015, Chemical Society reviews.

Pinpointing the extent of electronic delocalization in the Re(I)-to-tetrazine charge-separated excited state using time-resolved infrared spectroscopy.

A. Flood, Guifeng Li, Shubham Vyas, 2009, Journal of the American Chemical Society.

9,10-Anthracene dicarboxylate bridged complexes with M2 quadruply bonded dimetal units: [[M2(O2CtBu)3]2(mu-9,10-An(CO2)2)], where M = Mo or W.

M. Chisholm, B. Pate, C. Hadad, 2004, Dalton transactions.

Electronic coupling between molybdenum and tungsten quadruple bonds in molecular squares and extended chains linked by oxalate, acetylenedicarboxylate, and perfluoroterephthalate bridges

M. Chisholm, C. Hadad, B. Bursten, 2001 .

Rearrangement Pathways of Arylperoxy Radicals. I. The Azabenzenes

C. Hadad, Michael J. Fadden, 2000 .

Adsorption/Desorption Behavior of Ethanol Steam Reforming Reactants and Intermediates over Supported Cobalt Catalysts

U. Ozkan, Hua Song, C. Hadad, 2011 .

The Twist-Turn-Twist Motif Chaperoned inside Molecular Baskets.

Michael J. Gunther, J. Badjić, C. Hadad, 2019, Journal of the American Chemical Society.

Trapping of organophosphorus chemical nerve agents in water with amino acid functionalized baskets.

J. Badjić, Erdin Dalkılıç, C. Hadad, 2014, Chemistry.

Photoelectron spectroscopy of HCCN- and HCNC- reveals the quasilinear triplet carbenes, HCCN and HCNC

W. C. Lineberger, G. A. Petersson, S. Blanksby, 2002 .

Reactions of Ar+ with Selected Volatile Organic Compounds. A Flowing Afterglow and Selected Ion Flow Tube Study

Michael H. Cohen, C. Hadad, Brian T. Frink, 2000 .

Ubiquitous assembly of amphiphilic baskets into unilamellar vesicles and their recognition characteristics.

J. Badjić, C. Hadad, Shigui Chen, 2015, Organic letters.

Study of para-Quinone Methide Precursors toward the Realkylation of Aged Acetylcholinesterase.

C. McElroy, Ryan J. Yoder, Andrew J Franjesevic, 2017, ACS medicinal chemistry letters.

The interplay of theory and experiment in the study of phenylnitrene.

N. Gritsan, W. T. Borden, C. Hadad, 2000, Accounts of chemical research.

Conformational studies of methyl 3-O-methyl-alpha-D-arabinofuranoside: an approach for studying the conformation of furanose rings.

P. McCarren, J. B. Houseknecht, T. Lowary, 2001, Journal of the American Chemical Society.

[3 + 2]-Cycloadditions with Porphyrin β,β'-Bonds: Theoretical Basis of the Counterintuitive meso-Aryl Group Influence on the Rates of Reaction.

C. Hadad, C. Brückner, Matthew J. Guberman‐Pfeffer, 2022, The Journal of organic chemistry.

Alkynyl-Based Covalent Organic Frameworks as High-Performance Anode Materials for Potassium-Ion Batteries.

Yiying Wu, C. Hadad, Psaras L. McGrier, 2021, ACS applied materials & interfaces.

Direct aldol reactions catalyzed by intramolecularly folded prolinamide dendrons: dendrimer effects on stereoselectivity.

Daniel A. Turner, J. Parquette, C. Hadad, 2009, Chemical communications.

Theoretical and experimental studies of the spin trapping of inorganic radicals by 5,5-dimethyl-1-pyrroline N-oxide (DMPO). 1. Carbon dioxide radical anion.

J. Zweier, F. Villamena, C. Hadad, 2006, The journal of physical chemistry. A.

Comparative DFT study of the spin trapping of methyl, mercapto, hydroperoxy, superoxide, and nitric oxide radicals by various substituted cyclic nitrones.

J. Zweier, F. Villamena, C. Hadad, 2005, The journal of physical chemistry. A.

A new approach to evaluating the extent of Michael adduct formation to PAH quinones: tetramethylammonium hydroxide (TMAH) thermochemolysis with GC/MS.

R. B. Sunoj, S. A. Hatcher, P. Hatcher, 2003, Chemical research in toxicology.

Assembly and Folding of Twisted Baskets in Organic Solvents.

J. Badjić, C. Hadad, Lei Hu, 2016, Organic letters.

Electronically Excited States of Ethylene

J. B. Foresman, C. Hadad, W. Chupka, 1992 .

Cooperative Asymmetric Dual Catalysis Involving a Chiral N-Heterocyclic Carbene Organocatalyst and Palladium in an Annulation Reaction: Mechanism and Origin of Stereoselectivity

R. B. Sunoj, C. Athira, C. Hadad, 2023, ACS Catalysis.

Hydrolysis of nerve agents by model nucleophiles: a computational study.

J. Beck, C. Hadad, 2008, Chemico-biological interactions.

Molecular recognition of a transition state.

J. Badjić, C. Hadad, Xiaoguang Bao, 2010, Angewandte Chemie.

Mechanistic investigations into the cyclization and crystallization of benzobisoxazole-linked two-dimensional covalent organic frameworks

William H Coldren, C. Hadad, D. Pyles, 2018, Chemical science.

On the encapsulation of hydrocarbon components of natural gas within molecular baskets in water. The role of C-H···π interactions and the host's conformational dynamics in the process of encapsulation.

J. Badjić, C. Hadad, Y. Ruan, 2014, Chemical communications.

Electronically coupled MM quadruply-bonded complexes (M = Mo or W) employing functionalized terephthalate bridges: toward molecular rheostats and switches.

M. Chisholm, C. Hadad, F. Feil, 2005, Journal of the American Chemical Society.

Demonstration of In Vitro Resurrection of Aged Acetylcholinesterase after Exposure to Organophosphorus Chemical Nerve Agents.

William H Coldren, C. McElroy, Ryan J. Yoder, 2018, Journal of medicinal chemistry.

Efforts toward treatments against aging of organophosphorus‐inhibited acetylcholinesterase

C. McElroy, Ryan J. Yoder, C. Callam, 2016, Annals of the New York Academy of Sciences.

Capturing Fleeting Intermediates in a Claisen Rearrangement Using Nonequilibrium Droplet Imbibition Reaction Conditions.

Abraham K. Badu-Tawiah, C. Hadad, Dmytro S Kulyk, 2022, Analytical chemistry.

Bond elongation in the anion radical of coordinated tetrazine ligands: A crystallographic, spectroscopic and computational study of a reduced {Re(CO)3Cl} complex

A. Flood, Shubham Vyas, C. Hadad, 2011 .

Reactions of [W2(OCH2tBu)8](MM) with diazobenzene and trimethylsilyldiazomethane. Preparation and structures of W2(OCH2tBu)8(NPh) and W2(OCH2tBu)8(N2C(H)SiMe3)

J. Gallucci, M. Chisholm, C. Hadad, 2003 .

Electronically-coupled tungsten-tungsten quadruple bonds: comparisons of electron delocalization in 3,6-dioxypyridazine and oxalate-bridged compounds.

J. Gallucci, M. Chisholm, C. Hadad, 2004, Journal of the American Chemical Society.

Early events in the photochemistry of aryl azides from femtosecond UV/Vis spectroscopy and quantum chemical calculations.

G. Burdziński, C. Hadad, T. L. Gustafson, 2006, Journal of the American Chemical Society.

Carbonate Alkalinity Enhances Triclosan Photolysis

Y. Chin, C. Hadad, M. Chakraborty, 2021, Aquatic Geochemistry.

Regioselectivity in Alkylation Reactions of 1,2‐O‐Stannylene Acetals of d‐Arabinofuranose

T. Lowary, C. Callam, C. Hadad, 2003 .

Photoaffinity labeling via nitrenium ion chemistry: protonation of the nitrene derived from 4-amino-3-nitrophenyl azide to afford reactive nitrenium ion pairs.

Shubham Vyas, M. Panov, A. Tarnovsky, 2009, Journal of the American Chemical Society.

M2(hpp)4Cl2 and M2(hpp)4, where M = Mo and W: preparations, structure and bonding, and comparisons with C2, C2H2, and C2Cl2 and the hypothetical molecules M2(hpp)4(H)2.

J. Gallucci, M. Chisholm, C. Hadad, 2003, Journal of the American Chemical Society.

Thienyl carboxylate ligands bound to and bridging MM quadruple bonds, M = Mo or W: models for polythiophenes incorporating MM quadruple bonds.

J. Gallucci, M. Chisholm, C. Hadad, 2004, Inorganic chemistry.

Design, preparation, and study of catalytic gated baskets.

Daniel A. Turner, J. Badjić, C. Hadad, 2012, The Journal of organic chemistry.

Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes. An Uncommon cis-β-C-H Activation Leads to Z-Selective Coupling of Acrylates.

C. Hadad, T. V. RajanBabu, Remy F Lalisse, 2021, ACS catalysis.

The entrapment of chiral guests with gated baskets: can a kinetic discrimination of enantiomers be governed through gating?

Daniel A. Turner, J. Badjić, C. Hadad, 2013, Chemistry.

Controlling dynamic stereoisomerism in transition-metal folded baskets

Daniel A. Turner, J. Badjić, C. Hadad, 2011 .

Rearrangement pathways of 2-hydroxy-2-methylpropylidene: an experimental and computational study.

R. B. Sunoj, C. Hadad, D. M. Thamattoor, 2002, The Journal of organic chemistry.

The ability of triplet nitrenes to abstract hydrogen atoms

Jagadis Sankaranarayanan, C. Hadad, A. Gudmundsdottir, 2010 .

Stereochemistry of metalated aldimines. 2. A theoretical study of dimeric ion-pair aggregates of isomeric lithioacetaldimines and of their kinetically controlled reaction with formaldehyde

A. Streitwieser, R. Glaser, C. Hadad, 1991 .

The Physical and Electronic Structure of M2 Quadruply Bonded Complexes: A Density Functional Theory Study

Jason S. D’Acchioli, M. Chisholm, C. Hadad, 2007 .

Time-resolved infrared studies of triplet 1,3-cyclopentanediyl

C. Hadad, J. Toscano, B. M. Showalter, 2000 .

Method for the preparation of derivatives of heptiptycene: toward dual-cavity baskets.

J. Badjić, Ryan J. Yoder, Shubham Vyas, 2013, The Journal of organic chemistry.

Studies of oxalate-bridged MM quadruple bonds and their radical cations (M=Mo or W): on the matter of linkage isomers.

Jason S. D’Acchioli, M. Chisholm, C. Hadad, 2005, Dalton transactions.

3,6-dioxypyridazine bridged tungsten-tungsten quadruple bonds. Comparisons of electron delocalisation with oxalate bridged compounds.

M. Chisholm, C. Hadad, R. Clark, 2004, Chemical communications.

M2δ-to-oxalate π* conjugation in oxalate-bridged complexes containing M–M quadruple bonds

M. Chisholm, C. Hadad, B. Bursten, 2001 .

Septanose Carbohydrates: Synthesis and Conformational Studies of Methyl α-d-glycero-d-Idoseptanoside and Methyl β-d-glycero-d-Guloseptanoside

D. Baldisseri, M. Peczuh, M. Morton, 2005 .

Perfluoroterephthalate Bridged Complexes with M−M Quadruple Bonds: (tBuCO2)3M2(μ-O2CC6F4CO2)M2(O2CtBu)3, where M = Mo or W. Studies of Solid-State, Molecular, and Electronic Structure and Correlations with Electronic and Raman Spectral Data

P. Woodward, M. Chisholm, C. Hadad, 2002 .

Oxalate-bridged complexes of dimolybdenum and ditungsten supported by pivalate ligands: ((t)BuCO(2))(3)M(2)(mu-O(2)CCO(2))M(2)(O(2)C(t)Bu)(3). Correlation of the solid-state, molecular, and electronic structures with Raman, resonance Raman, and electronic spectral data.

P. Woodward, M. Chisholm, C. Hadad, 2002, Journal of the American Chemical Society.

Urea-catalyzed N-H insertion-arylation reactions of nitrodiazoesters.

J. Badjić, C. Hadad, Shameema Oottikkal, 2014, The Journal of organic chemistry.

C2 hydroxyl group governs the difference in hydrolysis rates of methyl-α-D-glycero-D-guloseptanoside and methyl-β-D-glycero-D-guloseptanoside.

M. Peczuh, J. Beck, C. Hadad, 2012, The Journal of organic chemistry.

Stereo- and Regioselective Synthesis of Molecular Baskets.

Michael J. Gunther, J. Badjić, C. Hadad, 2019, The Journal of organic chemistry.

Structure-Based Optimization of a Peptidyl Inhibitor against Calcineurin-Nuclear Factor of Activated T Cell (NFAT) Interaction

P. Hogan, D. Pei, C. Hadad, 2014, Journal of medicinal chemistry.

Computational and experimental studies of the effect of substituents on the singlet-triplet energy gap in phenyl(carbomethoxy)carbene.

C. Hadad, J. Toscano, Brian T. Frink, 2002, The Journal of organic chemistry.

Alkyne adducts of [W2(OCH2tBu)8]. Cases of perpendicular and skewed bridges in equilibrium with terminal bonded isomers

J. Gallucci, M. Chisholm, C. Hadad, 2003 .

Study of the S1 excited state of para-methoxy-3-phenyl-3-methyl diazirine by ultrafast time resolved UV-Vis and IR spectroscopies and theory.

M. Sliwa, Shubham Vyas, G. Burdziński, 2009, Journal of the American Chemical Society.

[Mo2O2S8]2− small molecule dimer as a basis for hydrogen evolution reaction (HER) catalyst materials

Yiying Wu, C. Hadad, Songwei Zhang, 2020, SN Applied Sciences.

Electrode-assisted catalytic water oxidation by a flavin derivative.

Shubham Vyas, Shameema Oottikkal, Shubham Vyas, 2012, Nature chemistry.

Photomodulated chiral induction in helical azobenzene oligomers.

Peng Tao, J. Parquette, C. Hadad, 2008, Organic letters.

Gated molecular recognition and dynamic discrimination of guests.

J. Badjić, C. Hadad, Xiaoguang Bao, 2010, Journal of the American Chemical Society.

Recognition characteristics of an adaptive vesicular assembly of amphiphilic baskets for selective detection and mitigation of toxic nerve agents.

J. Badjić, C. Hadad, Shigui Chen, 2014, Journal of the American Chemical Society.

Design, synthesis, and conformational dynamics of a gated molecular basket.

Zhiqing Yan, Veselin Maslak, Shijing Xia, 2006, Journal of the American Chemical Society.

On the mechanism of action of gated molecular baskets: The synchronicity of the revolving motion of gates and in/out trafficking of guests

J. Badjić, Hashem A. Taha, C. Hadad, 2012, Beilstein journal of organic chemistry.

Encapsulation of guests within a gated molecular basket: thermodynamics and selectivity.

J. Badjić, C. Hadad, Xiaoguang Bao, 2008, Organic letters.

Rate constants of hydroperoxyl radical addition to cyclic nitrones: a DFT study.

J. Zweier, F. Villamena, C. Hadad, 2007, The journal of physical chemistry. A.

The Response of Electrons to Structural Changes

M. Murcko, C. Breneman, C. Hadad, 1991, Science.

Spin trapping by 5-carbamoyl-5-methyl-1-pyrroline N-oxide (AMPO): theoretical and experimental studies.

J. Zweier, J. Gallucci, F. Villamena, 2004, The Journal of organic chemistry.

Theoretical study of the spin trapping of hydroxyl radical by cyclic nitrones: a density functional theory approach.

J. Zweier, F. Villamena, C. Hadad, 2004, Journal of the American Chemical Society.

An acid-catalyzed cyclialkylation that provides rapid access to a twisted molecular basket.

Daniel A. Turner, J. Badjić, C. Hadad, 2012, Chemistry.

On the role of guests in enforcing the mechanism of action of gated baskets.

J. Badjić, C. Hadad, Shigui Chen, 2013, Organic & biomolecular chemistry.

A 3-fold "butterfly valve" in command of the encapsulation's kinetic stability. Molecular baskets at work.

Zhiqing Yan, Veselin Maslak, J. Badjić, 2008, Journal of the American Chemical Society.

FLUORESCENCE LIFETIME MEASUREMENTS AND SPECTRAL ANALYSIS OF ADAMANTYLDIAZIRINE

W. Weaver, J. Gord, C. Hadad, 1997 .

Molecular encapsulation via metal-to-ligand coordination in a Cu(I)-folded molecular basket.

Zhiqing Yan, Shijing Xia, J. Badjić, 2008, The Journal of organic chemistry.

Supramolecular catalysis at work: diastereoselective synthesis of a molecular bowl with dynamic inner space.

J. Gallucci, Zhiqing Yan, Veselin Maslak, 2008, The Journal of organic chemistry.

Silver(I) mediated folding of a molecular basket.

Zhiqing Yan, Veselin Maslak, Shijing Xia, 2007, Organic letters.

Dimeric [Mo2 S12 ](2-) Cluster: A Molecular Analogue of MoS2 Edges for Superior Hydrogen-Evolution Electrocatalysis.

Jun Lu, K. Amine, Xiaodi Ren, 2015, Angewandte Chemie.

pH-Controlled Chiral Packing and Self-Assembly of a Coumarin Tetrapeptide.

J. Parquette, D. Modarelli, C. Hadad, 2019, Langmuir : the ACS journal of surfaces and colloids.

Surface complexes of phthalic acid at the hematite/water interface.

Yu Sik Hwang, Y. Hwang, C. Hadad, 2007, Journal of colloid and interface science.

A Mechanistic Study of the Reactions of H, O (3P), and OH with Monocyclic Aromatic Hydrocarbons by Density Functional Theory

Christopher M. Hadad, C. Hadad, Cynthia Barckholtz, 2001 .

Heat‐induced compounds development in processed tomato and their influence on corrosion initiation in metal food cans

S. Barringer, M. Pascall, Hardy Z Castada, 2021, Food science & nutrition.

Computational Study of the Mechanisms for the Reaction of O2(3Σg) with Aromatic Radicals

C. Hadad, Michael J. Fadden, Cynthia Barckholtz, 1999 .

Synthesis of L-daunosamine and L-ristosamine glycosides via photoinduced aziridination. Conversion to thioglycosides for use in glycosylation reactions.

R. S. Coleman, Peng Tao, T. Lowary, 2006, The Journal of organic chemistry.

Improved Karplus Equations for 3JC1,H4 in Aldopentofuranosides: Application to the Conformational Preferences of the Methyl Aldopentofuranosides

J. B. Houseknecht, T. Lowary, C. Hadad, 2003 .

A multidisciplinary approach to probing enthalpy-entropy compensation and the interfacial mobility model.

E. Toone, J. Naismith, C. Hadad, 2011, Journal of the American Chemical Society.

A Computational Study of Methyl α-D-Arabinofuranoside: Effect of Ring Conformation on Structural Parameters and Energy Profile

C. Hadad, M. Gordon, and Todd L. Lowary, 1999 .

Butadiene. 3. Charge Distribution in Electronically Excited States

J. B. Foresman, G. Ellison, C. Hadad, 1993 .

Hypercoordinate Iodine Catalysts in Enantioselective Transformation: The Role of Catalyst Folding in Stereoselectivity

R. B. Sunoj, C. Patel, C. Hadad, 2017 .

Hypercoordinate iodine for catalytic asymmetric diamination of styrene: insights into the mechanism, role of solvent, and stereoinduction† †Electronic supplementary information (ESI) available: Cartesian coordinates of all stationary points and other relevant information is provided. See DOI: 10.103

R. B. Sunoj, C. Hadad, A. Sreenithya, 2019, Chemical science.

Substituent effects in the interconversion of phenylcarbene, bicyclo[4.1.0]hepta-2,4,6-triene, and 1,2,4,6-cycloheptatetraene.

C. Hadad, C. M. Geise, 2002, The Journal of organic chemistry.

An experimental and computational evaluation of the energetics of the isomeric methoxyphenylcarbenes generated in carbon atom reactions.

P. Shevlin, C. Hadad, F. Zheng, 2002, Journal of the American Chemical Society.

Time-resolved resonance Raman and computational investigation of the influence of 4-acetamido and 4-N-methylacetamido substituents on the chemistry of phenylnitrene.

Shubham Vyas, H. Luk, J. Xue, 2011, The journal of physical chemistry. A.

Rearrangement Pathways of Arylperoxy Radicals. 2. Five-Membered Heterocycles

C. Hadad, Michael J. Fadden, 2000 .

The gas-phase acidity of 2(3H)-oxepinone: a step toward an experimental heat of formation for the 2-oxepinoxy radical.

C. Hadad, M. Dematteo, S. Kroner, 2005, Journal of the American Chemical Society.

The photochemistry of 4,5-carbomethoxy-1,2,3-thiadiazole: direct observation of thiirene formation and its decay in solution.

H. Luk, G. Burdziński, C. Hadad, 2013, The journal of physical chemistry. A.

A Novel, Modified Human Butyrylcholinesterase Catalytically Degrades the Chemical Warfare Nerve Agent, Sarin.

C. McElroy, D. Wood, H. Shafaat, 2019, Toxicological sciences : an official journal of the Society of Toxicology.

Reaction profiles of the interaction between sarin and acetylcholinesterase and the S203C mutant: model nucleophiles and QM/MM potential energy surfaces.

J. Beck, C. Hadad, 2010, Chemico-biological interactions.

Butyrylcholinesterase and G116H, G116S, G117H, G117N, E197Q and G117H/E197Q mutants: a molecular dynamics study.

Shijing Xia, Shubham Vyas, J. Beck, 2010, Chemico-biological interactions.

A stacking interaction between a bridging hydrogen atom and aromatic pi density in the n-B18H22-benzene system.

C. Hadad, S. Shore, R. Kultyshev, 2006, Chemistry.

Mechanistic aspects of ketene formation deduced from femtosecond photolysis of diazocyclohexadienone, o-phenylene thioxocarbonate, and 2-chlorophenol.

M. Sliwa, Shubham Vyas, H. Luk, 2013, The Journal of organic chemistry.

Chemical synthesis of two series of nerve agent model compounds and their stereoselective interaction with human acetylcholinesterase and human butyrylcholinesterase.

Nora H Barakat, J. Cashman, Shubham Vyas, 2009, Chemical research in toxicology.

Computational Study of the Oxygen Initiated Decomposition of 2-Oxepinoxy Radical: A Key Intermediate in the Oxidation of Benzene

C. Hadad, John K. Merle and, 2004 .

Mass Spectrometry Approach for Differentiation of Positional Isomers of Saccharides: Toward Direct Analysis of Rare Sugars.

Abraham K. Badu-Tawiah, C. Callam, C. Hadad, 2023, Analytical chemistry.

Photochemical Electron Transfer Reactions of Tirapazamine ¶

G. Chowdhury, L. Pickard, J. S. Poole, 2002 .

Photochemical Electron Transfer Reactions of Tirapazamine¶

G. Chowdhury, L. Pickard, J. S. Poole, 2002, Photochemistry and photobiology.

The Interplay of Theory and Experiment in the Study of

N. Gritsan, C. Hadad, C. R. Kemnitz, 2001 .

Direct observation of a sulfonyl azide excited state and its decay processes by ultrafast time-resolved IR spectroscopy.

Shubham Vyas, H. Luk, J. Kubicki, 2012, Journal of the American Chemical Society.

Ligand Control in Co-Catalyzed Regio- and Enantioselective Hydroboration: Homoallyl Secondary Boronates via Uncommon 4,3-Hydroboration of 1,3-Dienes.

Subhajit Bhunia, C. Hadad, T. V. RajanBabu, 2023, Journal of the American Chemical Society.

DENSITY FUNCTIONAL THEORETICAL STUDY OF NITRATED POLYCYCLIC AROMATIC HYDROCARBONS

Prabir K. Dutta, Christopher M. Hadad, P. Dutta, 2004 .

Substituent effects. 4. Nature of substituent effects at carbonyl groups

J. Cioslowski, C. Hadad, P. Rablen, 1992 .

Oxalate Bridged MM Quadruply Bonded Oligomers: Considerations of Electronic Structure and Synthetic Strategies

M. Chisholm, C. Hadad, C. Durr, 2012, Journal of Cluster Science.

Analysis of the effect of electron correlation on charge density distributions

Kenneth B. Wiberg, Christopher M. Hadad, Michael J. Frisch, 1992 .

Ultrafast spectroscopy and computational study of the photochemistry of diphenylphosphoryl azide: direct spectroscopic observation of a singlet phosphorylnitrene.

M. Sliwa, Shubham Vyas, G. Burdziński, 2010, Journal of the American Chemical Society.

Mechanistic Insights into the Hydrolysis of Organophosphorus Compounds by Paraoxonase-1: Exploring the Limits of Substrate Tolerance in a Promiscuous Enzyme.

Shubham Vyas, T. Magliery, C. Hadad, 2012, Journal of physical organic chemistry.

Functional Analyses of Human Serum Paraoxonase (HuPON1) Mutants Using Drop Coating Deposition Raman Difference Spectroscopy

T. Magliery, C. Hadad, H. Ying, 2010 .

Computational Modeling of Human Paraoxonase 1: Preparation of Protein Models, Binding Studies, and Mechanistic Insights.

Carrigan J. Hayes, Peng Tao, Tamara C. Otto, 2010, Journal of physical organic chemistry.

The Photochemistry of Riboflavin Tetraacetate and Nucleosides. A Study Using Density Functional Theory, Laser Flash Photolysis, Fluorescence, UV−Vis, and Time Resolved Infrared Spectroscopy

James S. A. Brooke, Xiaofeng Shi, C. Hadad, 2002 .

Substituent effects on the electronic structure and pKa of benzoic acid

Christopher M. Hadad, Paul G. Seybold, P. Seybold, 2002 .

Plasmonically Generated Tryptophan Radical Anion on Gold Nanoparticles Investigated by Combined Surface-Enhanced Raman Scattering and Density Functional Theory Calculations

Zachary D. Schultz, C. Hadad, Remy F Lalisse, 2021, The Journal of Physical Chemistry C.

The reaction of triplet flavin with indole. A study of the cascade of reactive intermediates using density functional theory and time resolved infrared spectroscopy.

C. Hadad, Meng-Lin Tsao, Christopher B. Martin, 2002, Journal of the American Chemical Society.

Improved Flavin-Based Catalytic Photooxidation of Alcohols through Intersystem Crossing Rate Enhancement.

Veselin Maslak, C. Hadad, Jojo P. Joseph, 2016, The journal of physical chemistry. A.

Molecular Docking as a Tool to Examine Organic Cation Sorption to Organic Matter.

A. MacKay, C. Hadad, Stephen Scott, 2022, Environmental science & technology.

Aminoacyl-tRNA substrate and enzyme backbone atoms contribute to translational quality control by YbaK.

K. Musier-Forsyth, C. Hadad, Sandeep Kumar, 2013, The journal of physical chemistry. B.

Substrate and enzyme functional groups contribute to translational quality control by bacterial prolyl-tRNA synthetase.

K. Musier-Forsyth, C. Hadad, Sandeep Kumar, 2012, The journal of physical chemistry. B.

Substrate Specificity of Bacterial Prolyl-tRNA Synthetase Editing Domain Is Controlled by a Tunable Hydrophobic Pocket*

K. Musier-Forsyth, C. Hadad, Sandeep Kumar, 2011, The Journal of Biological Chemistry.

A theoretical and experimental investigation of vicinal tricarbonyl systems and their hydrates

H. Wasserman, C. Hadad, S. Henke, 1993 .

Specificity Profiling of Dual Specificity Phosphatase Vaccinia VH1-related (VHR) Reveals Two Distinct Substrate Binding Modes*

Michael A. Freitas, Shubham Vyas, D. Pei, 2013, The Journal of Biological Chemistry.

Robust, Enantioselective Construction of Challenging, Biologically Relevant Tertiary Ether Stereocenters

C. Stern, C. Hadad, Rameez Ali, 2021 .

The final catalytic step of cytochrome p450 aromatase: a density functional theory study.

R. Brueggemeier, C. Hadad, J. Hackett, 2005, Journal of the American Chemical Society.

Substrate-mediated Fidelity Mechanism Ensures Accurate Decoding of Proline Codons*

Daniel A. Turner, K. Musier-Forsyth, C. Hadad, 2011, The Journal of Biological Chemistry.

From Selection to Instruction and Back: Competing Conformational Selection and Induced Fit Pathways in Abiotic Hosts

J. Badjić, C. Waudby, C. Hadad, 2021, Angewandte Chemie.

From Selection to Instruction and Back - Competing Conformational Selection and Induced Fit Pathways in Abiotic Hosts.

J. Badjić, C. Waudby, C. Hadad, 2021, Angewandte Chemie.

Concerning the electronic coupling of MoMo quadruple bonds linked by 4,4'-azodibenzoate and comparison with t2g 6-Ru(II) centers by 4,4'-azodiphenylcyanamido ligands.

Jason S. D’Acchioli, M. Chisholm, C. Hadad, 2006, Inorganic chemistry.

Ultrafast infrared and UV-vis studies of the photochemistry of methoxycarbonylphenyl azides in solution.

S. Eswaran, H. Luk, J. Xue, 2012, The journal of physical chemistry. A.

In-silico guided design, screening, and molecular dynamic simulation studies for the identification of potential SARS-CoV-2 main protease inhibitors for the targeted treatment of COVID-19.

C. McElroy, C. Hadad, Ö. D. Ekici, 2023, Journal of biomolecular structure & dynamics.

Highly Enantioselective Catalytic Alkynylation of Quinolones: Substrate Scope, Mechanistic Studies, and Applications in the Syntheses of Chiral N-Heterocyclic Alkaloids and Diamines.

C. Hadad, Yong-Hong Guan, Remy F Lalisse, 2023, ACS catalysis.

Enantioselective Dearomative Alkynylation of Chromanones: Opportunities and Obstacles

C. Hadad, Rameez Ali, Yong-Hong Guan, 2022, Synthesis.

Photochemistry of 2-naphthoyl azide. An ultrafast time-resolved UV-vis and IR spectroscopic and computational study.

M. Sliwa, Shubham Vyas, H. Luk, 2011, Journal of the American Chemical Society.

A new class of intramolecularly hydrogen-bonded dendrons based on a 2-methoxyisophthalamide repeat unit.

Noel M. Paul, J. Parquette, T. Takaya, 2006, Journal of Organic Chemistry.

A First-Principles Study of the Role of Quaternary-N Doping on the Oxygen Reduction Reaction Activity and Selectivity of Graphene Edge Sites

Elizabeth J. Biddinger, U. Ozkan, A. Asthagiri, 2013, Topics in Catalysis.

Reactivation of model cholinesterases by oximes and intermediate phosphyloximes: a computational study.

Shubham Vyas, C. Hadad, 2008, Chemico-biological interactions.

R. B. Sunoj, C. Hadad, Soumi Tribedi, 2018, Chemical science.

Pinpointing the Extent of Electronic Delocalization in the Re(I)-to-Tetrazine Charge-Separated Excited State Using Time-Resolved Infrared Spectroscopy

A. Flood, Guifeng Li, Shubham Vyas, 2009 .

Right- and Left-Handed Helices, What is in between? Interconversion of Helical Structures of Alternating Pyridinedicarboxamide/m-(phenylazo)azobenzene Oligomers.

Peng Tao, J. Parquette, C. Hadad, 2012, Journal of chemical theory and computation.

Examining the Scope and Thermodynamics of Assembly in Nesting Complexes Comprising Molecular Baskets and TPA Ligands.

J. Badjić, C. Hadad, Shane M. Polen, 2017, Organic letters.

The prospect of selective recognition of nerve agents with modular basket-like hosts. A structure-activity study of the entrapment of a series of organophosphonates in aqueous media.

Veselin Maslak, J. Badjić, Ryan J. Yoder, 2013, The journal of physical chemistry. B.

Mechanistic investigations into the cyclization and crystallization of benzobisoxazole-linked two-dimensional covalent organic frameworks

C. Hadad, D. Pyles, Psaras L. McGrier, 2018, Chemical science.

Molecular recognition of a transition state.

J. Badjić, C. Hadad, Xiaoguang Bao, 2010, Angewandte Chemie.

Competition between α-Cleavage and Energy Transfer in α-Azidoacetophenones

C. Hadad, J. Krause, J. Hackett, 2007 .

Conformational analysis of furanose rings with PSEUROT: parametrization for rings possessing the arabino, lyxo, ribo, and xylo stereochemistry and application to arabinofuranosides.

Cornelis Altona, Todd L Lowary, J. B. Houseknecht, 2002, The Journal of organic chemistry.

DENSITY FUNCTIONAL THEORETICAL STUDY OF NITRATED POLYCYCLIC AROMATIC HYDROCARBONS

P. Dutta, C. Hadad, K. K. Onchoke, 2004 .

Spectroscopic and computational studies of aqueous ethylene glycol solution surfaces.

Heather C Allen, H. Allen, C. Hadad, 2005, The journal of physical chemistry. B.

Photochemical fate of sulfadimethoxine in aquaculture waters.

J. Guerard, Y. Chin, C. Hadad, 2009, Environmental science & technology.