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Christopher M. Hadad - Publications

Affiliations: 
Chemistry and Biochemistry Ohio State University, Columbus, Columbus, OH 
Area:
reaction mechanisms
Website:
http://chemistry.osu.edu/faculty/hadad

208 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Franjesevic AJ, Sillart SB, Beck JM, Vyas S, Callam CS, Hadad CM. Resurrection and Reactivation of Acetylcholinesterase and Butyrylcholinesterase. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30444932 DOI: 10.1002/chem.201805075  0.64
2018 Johnson E, Waggoner AR, Xia S, Luk HL, Hadad CM, Poole JS. The Reactivity of Hydroxyl Radical in Non-Aqueous Phases: Addition Reactions. The Journal of Physical Chemistry. A. PMID 30277773 DOI: 10.1021/acs.jpca.8b08463  0.6
2018 Du L, Lan X, Phillips DL, Coldren WH, Hadad CM, Yang X, Thamattoor DM. Direct Observation of an Alkylidenecarbene by Ultrafast Transient Absorption Spectroscopy. The Journal of Physical Chemistry. A. PMID 30067896 DOI: 10.1021/acs.jpca.8b06118  0.32
2018 Zhuang Q, Franjesevic AJ, Corrigan TS, Coldren WH, Dicken R, Sillart S, DeYong A, Yoshino N, Smith J, Fabry S, Fitzpatrick K, Blanton TG, Joseph J, Yoder RJ, McElroy CA, ... ... Hadad CM, et al. Demonstration of in vitro Resurrection of Aged Acetylcholinesterase after Exposure to Organophosphorus Chemical Nerve Agents. Journal of Medicinal Chemistry. PMID 29870665 DOI: 10.1021/acs.jmedchem.7b01620  0.64
2017 Yoder RJ, Zhuang Q, Beck JM, Franjesevic A, Blanton TG, Sillart S, Secor T, Guerra L, Brown JD, Reid C, McElroy CA, Doğan Ekici Ö, Callam CS, Hadad CM. Study of para-Quinone Methide Precursors toward the Realkylation of Aged Acetylcholinesterase. Acs Medicinal Chemistry Letters. 8: 622-627. PMID 28626522 DOI: 10.1021/acsmedchemlett.7b00037  0.64
2016 Korvinson KA, Hargenrader GN, Stevanovic J, Xie Y, Joseph J, Maslak V, Hadad CM, Glusac KD. Improved Flavin-Based Catalytic Photo-Oxidation of Alcohols Through Intersystem Crossing Rate Enhancement. The Journal of Physical Chemistry. A. PMID 27565198 DOI: 10.1021/acs.jpca.6b08405  1
2016 Zhuang Q, Young A, Callam CS, McElroy CA, Ekici ÖD, Yoder RJ, Hadad CM. Efforts toward treatments against aging of organophosphorus-inhibited acetylcholinesterase. Annals of the New York Academy of Sciences. PMID 27327269 DOI: 10.1111/nyas.13124  0.64
2016 Zhiquan L, Polen SM, Hadad CM, RajanBabu TV, Badjic JD. Russian Nesting Doll Complexes of Molecular Baskets and Zinc Containing TPA Ligands. Journal of the American Chemical Society. PMID 27305044 DOI: 10.1021/jacs.6b04436  1
2016 Garrett BR, Polen SM, Click KA, He M, Huang Z, Hadad CM, Wu Y. Tunable Molecular MoS2 Edge-Site Mimics for Catalytic Hydrogen Production. Inorganic Chemistry. PMID 27022836 DOI: 10.1021/acs.inorgchem.6b00206  1
2016 Garrett BR, Awad A, He M, Click KA, Durr CB, Gallucci JC, Hadad CM, Wu Y. Dimeric FeFe-hydrogenase mimics bearing carboxylic acids: Synthesis and electrochemical investigation Polyhedron. 103: 21-27. DOI: 10.1016/j.poly.2015.08.019  1
2015 Huang Z, Luo W, Ma L, Yu M, Ren X, He M, Polen S, Click K, Garrett B, Lu J, Amine K, Hadad C, Chen W, Asthagiri A, Wu Y. Dimeric [Mo2 S12 ](2-) Cluster: A Molecular Analogue of MoS2 Edges for Superior Hydrogen-Evolution Electrocatalysis. Angewandte Chemie (International Ed. in English). PMID 26482571 DOI: 10.1002/anie.201507529  1
2015 Chen S, Yamasaki M, Polen S, Gallucci J, Hadad CM, Badjic JD. Dual-Cavity Basket Promotes Encapsulation in Water in an Allosteric Fashion. Journal of the American Chemical Society. PMID 26348904 DOI: 10.1021/jacs.5b06041  1
2015 Ruan Y, Chen S, Brown JD, Hadad CM, Badji? JD. Ubiquitous assembly of amphiphilic baskets into unilamellar vesicles and their recognition characteristics. Organic Letters. 17: 852-5. PMID 25654486 DOI: 10.1021/ol503675d  1
2015 Hermann K, Ruan Y, Hardin AM, Hadad CM, Badji? JD. Gated molecular baskets. Chemical Society Reviews. 44: 500-14. PMID 24927358 DOI: 10.1039/c4cs00140k  1
2015 Walpita J, Yang X, Khatmullin R, Luk HL, Hadad CM, Glusac KD. Pourbaix diagrams in weakly coupled systems: A case study involving acridinol and phenanthridinol pseudobases Journal of Physical Organic Chemistry. DOI: 10.1002/poc.3516  1
2015 Hu L, Polen S, Hardin AM, Pratumyot Y, Hadad CM, Badjic JD. On the Transfer of Chirality, Thermodynamic Stability, and Folding Characteristics of Stereoisomeric Gated Baskets European Journal of Organic Chemistry. 2015: 6832-6840. DOI: 10.1002/ejoc.201501071  1
2014 Chen S, Ruan Y, Brown JD, Hadad CM, Badji? JD. Recognition characteristics of an adaptive vesicular assembly of amphiphilic baskets for selective detection and mitigation of toxic nerve agents. Journal of the American Chemical Society. 136: 17337-42. PMID 25402739 DOI: 10.1021/ja510477q  1
2014 Click KA, Beauchamp DR, Garrett BR, Huang Z, Hadad CM, Wu Y. A double-acceptor as a superior organic dye design for p-type DSSCs: high photocurrents and the observed light soaking effect. Physical Chemistry Chemical Physics : Pccp. 16: 26103-11. PMID 25360820 DOI: 10.1039/c4cp04010d  1
2014 Qian Z, Dougherty PG, Liu T, Oottikkal S, Hogan PG, Hadad CM, Pei D. Structure-based optimization of a peptidyl inhibitor against calcineurin-nuclear factor of activated T cell (NFAT) interaction. Journal of Medicinal Chemistry. 57: 7792-7. PMID 25162754 DOI: 10.1021/jm500743t  1
2014 Ruan Y, Peterson PW, Hadad CM, Badji? JD. 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. Chemical Communications (Cambridge, England). 50: 9086-9. PMID 24986237 DOI: 10.1039/c4cc04107k  1
2014 So SS, Oottikkal S, Badji? JD, Hadad CM, Mattson AE. Urea-catalyzed N-H insertion-arylation reactions of nitrodiazoesters. The Journal of Organic Chemistry. 79: 4832-42. PMID 24797352 DOI: 10.1021/jo500698q  1
2014 Ruan Y, Dalkiliç E, Peterson PW, Pandit A, Dastan A, Brown JD, Polen SM, Hadad CM, Badji? JD. Trapping of organophosphorus chemical nerve agents in water with amino acid functionalized baskets. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 4251-6. PMID 24616086 DOI: 10.1002/chem.201304779  1
2014 Kaur D, Luk HL, Coldren W, Srinivas PM, Sridhar L, Prabhakar S, Raghunathan P, Guru Row TN, Hadad CM, Platz MS, Eswaran SV. Concomitant nitrene and carbene insertion accompanying ring expansion: spectroscopic, X-ray, and computational studies. The Journal of Organic Chemistry. 79: 1199-205. PMID 24410290 DOI: 10.1021/jo402621w  1
2014 Yang X, Walpita J, Mirzakulova E, Oottikkal S, Hadad CM, Glusac KD. Mechanistic studies of electrode-assisted catalytic oxidation by flavinium and acridinium cations Acs Catalysis. 4: 2635-2644. DOI: 10.1021/cs5005135  1
2013 Ruan Y, Wang BY, Erb JM, Chen S, Hadad CM, Badji? JD. On the role of guests in enforcing the mechanism of action of gated baskets. Organic & Biomolecular Chemistry. 11: 7667-75. PMID 24064703 DOI: 10.1039/c3ob41511b  1
2013 Chen S, Ruan Y, Brown JD, Gallucci J, Maslak V, Hadad CM, Badji? JD. Assembly of amphiphilic baskets into stimuli-responsive vesicles. Developing a strategy for the detection of organophosphorus chemical nerve agents. Journal of the American Chemical Society. 135: 14964-7. PMID 24063351 DOI: 10.1021/ja408585j  1
2013 Burdzinski G, Luk HL, Reid CS, Zhang Y, Hadad CM, Platz MS. The photochemistry of 4,5-carbomethoxy-1,2,3-thiadiazole: direct observation of thiirene formation and its decay in solution. The Journal of Physical Chemistry. A. 117: 4551-5. PMID 23662948 DOI: 10.1021/jp4003406  1
2013 Yang X, Walpita J, Zhou D, Luk HL, Vyas S, Khnayzer RS, Tiwari SC, Diri K, Hadad CM, Castellano FN, Krylov AI, Glusac KD. Toward organic photohydrides: excited-state behavior of 10-methyl-9-phenyl-9,10-dihydroacridine. The Journal of Physical Chemistry. B. 117: 15290-6. PMID 23659655 DOI: 10.1021/jp401770e  1
2013 Ruan Y, Taha HA, Yoder RJ, Maslak V, Hadad CM, Badji? JD. 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. The Journal of Physical Chemistry. B. 117: 3240-9. PMID 23445375 DOI: 10.1021/jp401841w  1
2013 Hermann K, Sardini S, Ruan Y, Yoder RJ, Chakraborty M, Vyas S, Hadad CM, Badji? JD. Method for the preparation of derivatives of heptiptycene: toward dual-cavity baskets. The Journal of Organic Chemistry. 78: 2984-91. PMID 23445206 DOI: 10.1021/jo3027998  1
2013 Wang BY, Stojanovi? S, Turner DA, Young TL, Hadad CM, Badji? JD. The entrapment of chiral guests with gated baskets: can a kinetic discrimination of enantiomers be governed through gating? Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 4767-75. PMID 23436252 DOI: 10.1002/chem.201204344  1
2013 Luechapanichkul R, Chen X, Taha HA, Vyas S, Guan X, Freitas MA, Hadad CM, Pei D. Specificity profiling of dual specificity phosphatase vaccinia VH1-related (VHR) reveals two distinct substrate binding modes. The Journal of Biological Chemistry. 288: 6498-510. PMID 23322772 DOI: 10.1074/jbc.M112.449611  1
2013 Burdzinski G, Kubicki J, Sliwa M, Réhault J, Zhang Y, Vyas S, Luk HL, Hadad CM, Platz MS. Mechanistic aspects of ketene formation deduced from femtosecond photolysis of diazocyclohexadienone, o-phenylene thioxocarbonate, and 2-chlorophenol. The Journal of Organic Chemistry. 78: 2026-32. PMID 23190449 DOI: 10.1021/jo302023a  1
2013 Kumar S, Das M, Hadad CM, Musier-Forsyth K. Aminoacyl-tRNA substrate and enzyme backbone atoms contribute to translational quality control by YbaK. The Journal of Physical Chemistry. B. 117: 4521-7. PMID 23185990 DOI: 10.1021/jp308628y  1
2013 Fretz SJ, Hadad CM, Hart DJ, Vyas S, Yang D. Birch reductive alkylation of methyl m-(hydroxymethyl)benzoate derivatives and the behavior of o- and p-(hydroxymethyl)benzoates under reductive alkylation conditions. The Journal of Organic Chemistry. 78: 83-92. PMID 23106774 DOI: 10.1021/jo301872n  1
2013 Bao X, Nie X, Von Deak D, Biddinger EJ, Luo W, Asthagiri A, Ozkan US, Hadad CM. A first-principles study of the role of quaternary-N doping on the oxygen reduction reaction activity and selectivity of graphene edge sites Topics in Catalysis. 56: 1623-1633. DOI: 10.1007/s11244-013-0097-z  1
2013 Vyas S, Winter AH, Hadad CM. Theory and Computation in the Study of Nitrenes and their Excited-State Photoprecursors Nitrenes and Nitrenium Ions. 33-76. DOI: 10.1002/9781118560907.ch2  1
2012 Muthukrishnan S, Shete VS, Sanan TT, Vyas S, Oottikkal S, Porter LM, Magliery TJ, Hadad CM. Mechanistic Insights into the Hydrolysis of Organophosphorus Compounds by Paraoxonase-1: Exploring the Limits of Substrate Tolerance in a Promiscuous Enzyme. Journal of Physical Organic Chemistry. 25: 1247-1260. PMID 23946555 DOI: 10.1002/poc.3002  1
2012 Bao X, Tao P, Villamena FA, Hadad CM. Spin trapping of hydroperoxyl radical by a cyclic nitrone conjugated to β-cyclodextrin: a computational study. Theoretical Chemistry Accounts. 131. PMID 23585725 DOI: 10.1007/s00214-012-1248-1  1
2012 Mirzakulova E, Khatmullin R, Walpita J, Corrigan T, Vargas-Barbosa NM, Vyas S, Oottikkal S, Manzer SF, Hadad CM, Glusac KD. Electrode-assisted catalytic water oxidation by a flavin derivative. Nature Chemistry. 4: 794-801. PMID 23000992 DOI: 10.1038/nchem.1439  1
2012 Zhou D, Khatmullin R, Walpita J, Miller NA, Luk HL, Vyas S, Hadad CM, Glusac KD. Mechanistic study of the photochemical hydroxide ion release from 9-hydroxy-10-methyl-9-phenyl-9,10-dihydroacridine. Journal of the American Chemical Society. 134: 11301-3. PMID 22765051 DOI: 10.1021/ja3031888  1
2012 Hermann K, Turner DA, Hadad CM, Badjić JD. An acid-catalyzed cyclialkylation that provides rapid access to a twisted molecular basket. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 8301-5. PMID 22674519 DOI: 10.1002/chem.201201153  1
2012 Xue J, Luk HL, Eswaran SV, Hadad CM, Platz MS. Ultrafast infrared and UV-vis studies of the photochemistry of methoxycarbonylphenyl azides in solution. The Journal of Physical Chemistry. A. 116: 5325-36. PMID 22568477 DOI: 10.1021/jp3025705  1
2012 Beck JM, Miller SM, Peczuh MW, Hadad CM. C2 hydroxyl group governs the difference in hydrolysis rates of methyl-α-D-glycero-D-guloseptanoside and methyl-β-D-glycero-D-guloseptanoside. The Journal of Organic Chemistry. 77: 4242-51. PMID 22493940 DOI: 10.1021/jo202639g  1
2012 Kubicki J, Luk HL, Zhang Y, Vyas S, Peng HL, Hadad CM, Platz MS. Direct observation of a sulfonyl azide excited state and its decay processes by ultrafast time-resolved IR spectroscopy. Journal of the American Chemical Society. 134: 7036-44. PMID 22462556 DOI: 10.1021/ja212085d  1
2012 Stojanovi? S, Turner DA, Share AI, Flood AH, Hadad CM, Badji? JD. A stereodynamic and redox-switchable encapsulation-complex containing a copper ion held by a tris-quinolinyl basket. Chemical Communications (Cambridge, England). 48: 4429-31. PMID 22460128 DOI: 10.1039/c2cc30339f  1
2012 Kumar S, Das M, Hadad CM, Musier-Forsyth K. Substrate and enzyme functional groups contribute to translational quality control by bacterial prolyl-tRNA synthetase. The Journal of Physical Chemistry. B. 116: 6991-9. PMID 22458656 DOI: 10.1021/jp300845h  1
2012 Hermann K, Rieth S, Taha HA, Wang BY, Hadad CM, Badji? JD. On the mechanism of action of gated molecular baskets: The synchronicity of the revolving motion of gates and in/out trafficking of guests. Beilstein Journal of Organic Chemistry. 8: 90-9. PMID 22423275 DOI: 10.3762/bjoc.8.9  1
2012 Wang BY, Žujovi? T, Turner DA, Hadad CM, Badji? JD. Design, preparation, and study of catalytic gated baskets. The Journal of Organic Chemistry. 77: 2675-88. PMID 22304427 DOI: 10.1021/jo202443j  1
2012 Kumar S, Das M, Hadad CM, Musier-Forsyth K. Substrate specificity of bacterial prolyl-tRNA synthetase editing domain is controlled by a tunable hydrophobic pocket. The Journal of Biological Chemistry. 287: 3175-84. PMID 22128149 DOI: 10.1074/jbc.M111.313619  1
2012 Tao P, Parquette JR, Hadad CM. Right- and left-handed helices, what is in between? Interconversion of helical structures of alternating pyridinedicarboxamide/m-(phenylazo)azobenzene oligomers Journal of Chemical Theory and Computation. 8: 5137-5149. DOI: 10.1021/ct2009335  1
2012 Chisholm MH, Durr CB, Hadad CM, Spilker TF. Oxalate Bridged MM Quadruply Bonded Oligomers: Considerations of Electronic Structure and Synthetic Strategies Journal of Cluster Science. 23: 767-780. DOI: 10.1007/s10876-012-0495-6  1
2012 Gross KC, Hadad CM, Seybold PG. Charge competition in halogenated hydrocarbons International Journal of Quantum Chemistry. 112: 219-229. DOI: 10.1002/qua.23223  1
2012 Vyas S, Kubicki J, Luk HL, Zhang Y, Gritsan NP, Hadad CM, Platz MS. An ultrafast time-resolved infrared and UV-vis spectroscopic and computational study of the photochemistry of acyl azides Journal of Physical Organic Chemistry. 25: 693-703. DOI: 10.1002/poc.2903  1
2011 So BR, An S, Kumar S, Das M, Turner DA, Hadad CM, Musier-Forsyth K. Substrate-mediated fidelity mechanism ensures accurate decoding of proline codons. The Journal of Biological Chemistry. 286: 31810-20. PMID 21768119 DOI: 10.1074/jbc.M111.232611  1
2011 Wilfong EM, Kogiso Y, Muthukrishnan S, Kowatz T, Du Y, Bowie A, Naismith JH, Hadad CM, Toone EJ, Gustafson TL. A multidisciplinary approach to probing enthalpy-entropy compensation and the interfacial mobility model. Journal of the American Chemical Society. 133: 11515-23. PMID 21692482 DOI: 10.1021/ja1098287  1
2011 Wang BY, Turner DA, Zujovi? T, Hadad CM, Badji? JD. The role of chirality in directing the formation of cup-shaped porphyrins and the coordination characteristics of such hosts. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 8870-81. PMID 21678514 DOI: 10.1002/chem.201100755  1
2011 Xue J, Vyas S, Du Y, Luk HL, Chuang YP, But TY, Toy PH, Wang J, Winter AH, Phillips DL, Hadad CM, Platz MS. Time-resolved resonance Raman and computational investigation of the influence of 4-acetamido and 4-N-methylacetamido substituents on the chemistry of phenylnitrene. The Journal of Physical Chemistry. A. 115: 7521-30. PMID 21648388 DOI: 10.1021/jp201821d  1
2011 Kubicki J, Zhang Y, Vyas S, Burdzinski G, Luk HL, Wang J, Xue J, Peng HL, Pritchina EA, Sliwa M, Buntinx G, Gritsan NP, Hadad CM, Platz MS. Photochemistry of 2-naphthoyl azide. An ultrafast time-resolved UV-vis and IR spectroscopic and computational study. Journal of the American Chemical Society. 133: 9751-61. PMID 21548657 DOI: 10.1021/ja109098w  1
2011 Stojanovi? S, Turner DA, Hadad CM, Badji? JD. Controlling dynamic stereoisomerism in transition-metal folded baskets Chemical Science. 2: 752-759. DOI: 10.1039/c0sc00592d  1
2011 Parimal K, Vyas S, Chen CH, Hadad CM, Flood AH. Bond elongation in the anion radical of coordinated tetrazine ligands: A crystallographic, spectroscopic and computational study of a reduced {Re(CO)3Cl} complex Inorganica Chimica Acta. 374: 620-626. DOI: 10.1016/j.ica.2011.05.005  1
2011 Song H, Bao X, Hadad CM, Ozkan US. Adsorption/desorption behavior of ethanol steam reforming reactants and intermediates over supported cobalt catalysts Catalysis Letters. 141: 43-54. DOI: 10.1007/s10562-010-0476-z  1
2010 Sanan TT, Muthukrishnan S, Beck JM, Tao P, Hayes CJ, Otto TC, Cerasoli DM, Lenz DE, Hadad CM. Computational Modeling of Human Paraoxonase 1: Preparation of Protein Models, Binding Studies, and Mechanistic Insights. Journal of Physical Organic Chemistry. 23: 357-369. PMID 24077808 DOI: 10.1002/poc.1678  1
2010 Vyas S, Muthukrishnan S, Kubicki J, McCulla RD, Burdzinski G, Sliwa M, Platz MS, Hadad CM. Ultrafast spectroscopy and computational study of the photochemistry of diphenylphosphoryl azide: direct spectroscopic observation of a singlet phosphorylnitrene. Journal of the American Chemical Society. 132: 16796-804. PMID 21049999 DOI: 10.1021/ja909327z  1
2010 Sichula V, Kucheryavy P, Khatmullin R, Hu Y, Mirzakulova E, Vyas S, Manzer SF, Hadad CM, Glusac KD. Electronic properties of N(5)-ethyl flavinium ion. The Journal of Physical Chemistry. A. 114: 12138-47. PMID 21043534 DOI: 10.1021/jp106288s  1
2010 Bao X, von Deak D, Biddinger EJ, Ozkan US, Hadad CM. A computational exploration of the oxygen reduction reaction over a carbon catalyst containing a phosphinate functional group. Chemical Communications (Cambridge, England). 46: 8621-3. PMID 20938558 DOI: 10.1039/c0cc03190a  1
2010 Sichula V, Hu Y, Mirzakulova E, Manzer SF, Vyas S, Hadad CM, Glusac KD. Mechanism of N(5)-ethyl-flavinium cation formation upon electrochemical oxidation of N(5)-ethyl-4a-hydroxyflavin pseudobase. The Journal of Physical Chemistry. B. 114: 9452-61. PMID 20597524 DOI: 10.1021/jp104443y  1
2010 Bao X, Rieth S, Stojanovi? S, Hadad CM, Badji? JD. Molecular recognition of a transition state. Angewandte Chemie (International Ed. in English). 49: 4816-9. PMID 20512829 DOI: 10.1002/anie.201000656  1
2010 Zhang Y, Vyas S, Hadad CM, Platz MS. An ab initio study of the ground and excited state chemistry of phenyldiazirine and phenyldiazomethane. The Journal of Physical Chemistry. A. 114: 5902-12. PMID 20405896 DOI: 10.1021/jp1012939  1
2010 Vyas S, Beck JM, Xia S, Zhang J, Hadad CM. Butyrylcholinesterase and G116H, G116S, G117H, G117N, E197Q and G117H/E197Q mutants: a molecular dynamics study. Chemico-Biological Interactions. 187: 241-5. PMID 20399202 DOI: 10.1016/j.cbi.2010.04.004  1
2010 Sanan TT, Rajanbabu TV, Hadad CM. Mechanism and stereoselection in a Y-catalyzed transacylation reaction. A computational modeling study. The Journal of Organic Chemistry. 75: 2369-81. PMID 20222696 DOI: 10.1021/jo100206d  1
2010 Beck JM, Hadad CM. Reaction profiles of the interaction between sarin and acetylcholinesterase and the S203C mutant: model nucleophiles and QM/MM potential energy surfaces. Chemico-Biological Interactions. 187: 220-4. PMID 20156428 DOI: 10.1016/j.cbi.2010.02.012  1
2010 Rieth S, Bao X, Wang BY, Hadad CM, Badji? JD. Gated molecular recognition and dynamic discrimination of guests. Journal of the American Chemical Society. 132: 773-6. PMID 20038142 DOI: 10.1021/ja908436c  1
2010 Ying H, Baldauff RM, Vyas S, Harsch CIK, Mata DG, Hadad CM, Magliery TJ, Gustafson TL. Functional analyses of human serum paraoxonase (HuPON1) mutants using drop coating deposition Raman difference spectroscopy Aip Conference Proceedings. 1267: 434-435. DOI: 10.1063/1.3482601  1
2010 Sankaranarayanan J, Rajam S, Hadad CM, Gudmundsdottir AD. The ability of triplet nitrenes to abstract hydrogen atoms Journal of Physical Organic Chemistry. 23: 370-375. DOI: 10.1002/poc.1654  1
2009 Wilson DC, Liu S, Chen X, Meyers EA, Bao X, Prosvirin AV, Dunbar KR, Hadad CM, Shore SG. 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). Inorganic Chemistry. 48: 5725-35. PMID 20507100 DOI: 10.1021/ic8022369  1
2009 Guerard JJ, Chin YP, Mash H, Hadad CM. Photochemical fate of sulfadimethoxine in aquaculture waters. Environmental Science & Technology. 43: 8587-92. PMID 20028056 DOI: 10.1021/es9020537  1
2009 Vyas S, Onchoke KK, Rajesh CS, Hadad CM, Dutta PK. Optical spectroscopic studies of mononitrated benzo[a]pyrenes. The Journal of Physical Chemistry. A. 113: 12558-65. PMID 19888776 DOI: 10.1021/jp904234q  1
2009 Zhang Y, Burdzinski G, Kubicki J, Vyas S, Hadad CM, Sliwa M, Poizat O, Buntinx G, Platz MS. 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. Journal of the American Chemical Society. 131: 13784-90. PMID 19736936 DOI: 10.1021/ja9046119  1
2009 Barakat NH, Zheng X, Gilley CB, MacDonald M, Okolotowicz K, Cashman JR, Vyas S, Beck JM, Hadad CM, Zhang J. Chemical synthesis of two series of nerve agent model compounds and their stereoselective interaction with human acetylcholinesterase and human butyrylcholinesterase. Chemical Research in Toxicology. 22: 1669-79. PMID 19715346 DOI: 10.1021/tx900096j  1
2009 Li G, Parimal K, Vyas S, Hadad CM, Flood AH, Glusac KD. Pinpointing the extent of electronic delocalization in the Re(I)-to-tetrazine charge-separated excited state using time-resolved infrared spectroscopy. Journal of the American Chemical Society. 131: 11656-7. PMID 19653686 DOI: 10.1021/ja903901n  1
2009 Voskresenska V, Wilson RM, Panov M, Tarnovsky AN, Krause JA, Vyas S, Winter AH, Hadad CM. Photoaffinity labeling via nitrenium ion chemistry: protonation of the nitrene derived from 4-amino-3-nitrophenyl azide to afford reactive nitrenium ion pairs. Journal of the American Chemical Society. 131: 11535-47. PMID 19624129 DOI: 10.1021/ja902224m  1
2009 Mitsui K, Hyatt SA, Turner DA, Hadad CM, Parquette JR. Direct aldol reactions catalyzed by intramolecularly folded prolinamide dendrons: dendrimer effects on stereoselectivity. Chemical Communications (Cambridge, England). 3261-3. PMID 19587933 DOI: 10.1039/b902960e  1
2009 Kucheryavy P, Li G, Vyas S, Hadad C, Glusac KD. Electronic properties of 4-substituted naphthalimides. The Journal of Physical Chemistry. A. 113: 6453-61. PMID 19445525 DOI: 10.1021/jp901982r  1
2009 Hayes CJ, Hadad CM. Combustion pathways of the alkylated heteroaromatics: bond dissociation enthalpies and alkyl group fragmentations. The Journal of Physical Chemistry. A. 113: 12370-9. PMID 19405499 DOI: 10.1021/jp809356y  1
2009 Hayes CJ, Merle JK, Hadad CM. The chemistry of reactive radical intermediates in combustion and the atmosphere Advances in Physical Organic Chemistry. 43: 79-134. DOI: 10.1016/S0065-3160(08)00003-8  1
2009 Gardlik M, Yan Z, Xia S, Rieth S, Gallucci J, Hadad CM, Badji? JD. A close inspection of Ag(I) coordination to molecular baskets. A study of solvation and guest encapsulation in solution and the solid state Tetrahedron. 65: 7213-7219. DOI: 10.1016/j.tet.2008.11.098  1
2009 Bao X, Song H, Ozkan US, Hadad CM. Computational study of the ethanol steam reforming reaction over Co/CeO2(111): From ethanol to acetate Acs National Meeting Book of Abstracts 1
2008 Wang BY, Bao X, Stojanovi? S, Hadad CM, Badji? JD. Encapsulation of guests within a gated molecular basket: thermodynamics and selectivity. Organic Letters. 10: 5361-4. PMID 18983166 DOI: 10.1021/ol802199t  1
2008 Wang BY, Bao X, Yan Z, Maslak V, Hadad CM, Badji? JD. A 3-fold "butterfly valve" in command of the encapsulation's kinetic stability. Molecular baskets at work. Journal of the American Chemical Society. 130: 15127-33. PMID 18937455 DOI: 10.1021/ja8041977  1
2008 Markad SD, Xia S, Snyder NL, Surana B, Morton MD, Hadad CM, Peczuh MW. Stereoselectivity in the epoxidation of carbohydrate-based oxepines. The Journal of Organic Chemistry. 73: 6341-54. PMID 18651775 DOI: 10.1021/jo800979a  1
2008 Dhimitruka I, Bobko AA, Hadad CM, Zweier JL, Khramtsov VV. Synthesis and characterization of amino derivatives of persistent trityl radicals as dual function pH and oxygen paramagnetic probes. Journal of the American Chemical Society. 130: 10780-7. PMID 18636723 DOI: 10.1021/ja803083z  1
2008 Vyas S, Hadad CM, Modarelli DA. A computational study of the ground and excited state structure and absorption spectra of free-base N-confused porphine and free-base N-confused tetraphenylporphyrin. The Journal of Physical Chemistry. A. 112: 6533-49. PMID 18593108 DOI: 10.1021/jp802094r  1
2008 Vyas S, Hadad CM. Reactivation of model cholinesterases by oximes and intermediate phosphyloximes: a computational study. Chemico-Biological Interactions. 175: 187-91. PMID 18582852 DOI: 10.1016/j.cbi.2008.05.006  1
2008 Beck JM, Hadad CM. Hydrolysis of nerve agents by model nucleophiles: a computational study. Chemico-Biological Interactions. 175: 200-3. PMID 18538754 DOI: 10.1016/j.cbi.2008.04.026  1
2008 Rieth S, Yan Z, Xia S, Gardlik M, Chow A, Fraenkel G, Hadad CM, Badji? JD. Molecular encapsulation via metal-to-ligand coordination in a Cu(I)-folded molecular basket. The Journal of Organic Chemistry. 73: 5100-9. PMID 18522422 DOI: 10.1021/jo800748k  1
2008 King ED, Tao P, Sanan TT, Hadad CM, Parquette JR. Photomodulated chiral induction in helical azobenzene oligomers. Organic Letters. 10: 1671-4. PMID 18396883 DOI: 10.1021/ol8004722  1
2008 Xue J, Du Y, Chuang YP, Phillips DL, Wang J, Luk C, Hadad CM, Platz MS. Time-resolved resonance Raman observation of the dimerization of didehydroazepines in solution. The Journal of Physical Chemistry. A. 112: 1502-10. PMID 18225870 DOI: 10.1021/jp077215g  1
2008 Yan Z, McCracken T, Xia S, Maslak V, Gallucci J, Hadad CM, Badji? JD. Supramolecular catalysis at work: diastereoselective synthesis of a molecular bowl with dynamic inner space. The Journal of Organic Chemistry. 73: 355-63. PMID 17929868 DOI: 10.1021/jo701538g  1
2008 Chisholm MH, Hadad CM, Heinze K, Hempel K, Singh N, Vyas S. (2+) Tetrafluoroborate. Preparation, electronic structure and physical properties Journal of Cluster Science. 19: 209-218. DOI: 10.1007/s10876-007-0167-0  1
2007 McCulla RD, Gohar GA, Hadad CM, Platz MS. Computational study of the Curtius-like rearrangements of phosphoryl, phosphinyl, and phosphinoyl azides and their corresponding nitrenes. The Journal of Organic Chemistry. 72: 9426-38. PMID 17999517 DOI: 10.1021/jo0711687  1
2007 Dhimitruka I, Velayutham M, Bobko AA, Khramtsov VV, Villamena FA, Hadad CM, Zweier JL. Large-scale synthesis of a persistent trityl radical for use in biomedical EPR applications and imaging. Bioorganic & Medicinal Chemistry Letters. 17: 6801-5. PMID 17964156 DOI: 10.1016/j.bmcl.2007.10.030  1
2007 Villamena FA, Merle JK, Hadad CM, Zweier JL. Rate constants of hydroperoxyl radical addition to cyclic nitrones: a DFT study. The Journal of Physical Chemistry. A. 111: 9995-10001. PMID 17845014 DOI: 10.1021/jp073615s  1
2007 Wang J, Kubicki J, Burdzinski G, Hackett JC, Gustafson TL, Hadad CM, Platz MS. Early events in the photochemistry of 2-naphthyl azide from femtosecond UV/Vis spectroscopy and quantum chemical calculations: direct observation of a very short-lived singlet nitrene. The Journal of Organic Chemistry. 72: 7581-6. PMID 17824713 DOI: 10.1021/jo070865w  1
2007 Villamena FA, Xia S, Merle JK, Lauricella R, Tuccio B, Hadad CM, Zweier JL. Reactivity of superoxide radical anion with cyclic nitrones: role of intramolecular H-bond and electrostatic effects. Journal of the American Chemical Society. 129: 8177-91. PMID 17564447 DOI: 10.1021/ja0702622  1
2007 Yan Z, Xia S, Gardlik M, Seo W, Maslak V, Gallucci J, Hadad CM, Badji? JD. Silver(I) mediated folding of a molecular basket. Organic Letters. 9: 2301-4. PMID 17488122 DOI: 10.1021/ol0705595  1
2007 Hackett JC, Sanan TT, Hadad CM. Oxidative dehalogenation of perhalogenated benzenes by cytochrome P450 compound I. Biochemistry. 46: 5924-40. PMID 17455915 DOI: 10.1021/bi700365x  1
2007 Muthukrishnan S, Mandel SM, Hackett JC, Singh PN, Hadad CM, Krause JA, Gudmundsdóttir AD. Competition between alpha-cleavage and energy transfer in alpha-azidoacetophenones. The Journal of Organic Chemistry. 72: 2757-68. PMID 17373846 DOI: 10.1021/jo062160k  1
2007 Villamena FA, Locigno EJ, Rockenbauer A, Hadad CM, Zweier JL. Theoretical and experimental studies of the spin trapping of inorganic radicals by 5,5-dimethyl-1-pyrroline N-oxide (DMPO). 2. Carbonate radical anion. The Journal of Physical Chemistry. A. 111: 384-91. PMID 17214476 DOI: 10.1021/jp065692d  1
2007 Hwang YS, Liu J, Lenhart JJ, Hadad CM. Surface complexes of phthalic acid at the hematite/water interface. Journal of Colloid and Interface Science. 307: 124-34. PMID 17188289 DOI: 10.1016/j.jcis.2006.11.020  1
2007 Voss LF, Bazerbashi MF, Beekman CP, Hadad CM, Allen HC. Oxidation of oleic acid at air/liquid interfaces Journal of Geophysical Research: Atmospheres. 112. DOI: 10.1029/2006JD007677  1
2007 Chisholm MH, D'acchioli JS, Hadad CM. The physical and electronic structure of M2 quadruply bonded complexes: A density functional theory study Journal of Cluster Science. 18: 27-49. DOI: 10.1007/s10876-006-0074-9  1
2006 Chisholm MH, D'Acchioli JS, Hadad CM, Patmore NJ. 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. Inorganic Chemistry. 45: 11035-42. PMID 17173463 DOI: 10.1021/ic060956w  1
2006 Villamena FA, Locigno EJ, Rockenbauer A, Hadad CM, Zweier JL. 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. The Journal of Physical Chemistry. A. 110: 13253-8. PMID 17149843 DOI: 10.1021/jp064892m  1
2006 Gabriel CJ, Dematteo MP, Paul NM, Takaya T, Gustafson TL, Hadad CM, Parquette JR. A new class of intramolecularly hydrogen-bonded dendrons based on a 2-methoxyisophthalamide repeat unit. The Journal of Organic Chemistry. 71: 9035-44. PMID 17109527 DOI: 10.1021/jo061351k  1
2006 DeMatteo MP, Mei S, Fenton R, Morton M, Baldisseri DM, Hadad CM, Peczuh MW. Conformational analysis of methyl 5-O-methyl septanosides: effect of glycosylation on conformer populations. Carbohydrate Research. 341: 2927-45. PMID 17056019 DOI: 10.1016/j.carres.2006.09.024  1
2006 Burdzinski G, Hackett JC, Wang J, Gustafson TL, Hadad CM, Platz MS. Early events in the photochemistry of aryl azides from femtosecond UV/Vis spectroscopy and quantum chemical calculations. Journal of the American Chemical Society. 128: 13402-11. PMID 17031952 DOI: 10.1021/ja061520i  1
2006 Mendlik MT, Tao P, Hadad CM, Coleman RS, Lowary TL. Synthesis of L-daunosamine and L-ristosamine glycosides via photoinduced aziridination. Conversion to thioglycosides for use in glycosylation reactions. The Journal of Organic Chemistry. 71: 8059-70. PMID 17025295 DOI: 10.1021/jo061167z  1
2006 Wasylenko WA, Kebede N, Showalter BM, Matsunaga N, Miceli AP, Liu Y, Ryzhkov LR, Hadad CM, Toscano JP. Generation of oxynitrenes and confirmation of their triplet ground states. Journal of the American Chemical Society. 128: 13142-50. PMID 17017794 DOI: 10.1021/ja062712g  1
2006 Voss LF, Hadad CM, Allen HC. Competition between atmospherically relevant fatty acid monolayers at the air/water interface. The Journal of Physical Chemistry. B. 110: 19487-90. PMID 17004809 DOI: 10.1021/jp062595b  1
2006 Xia S, Villamena FA, Hadad CM, Kuppusamy P, Li Y, Zhu H, Zweier JL. Reactivity of molecular oxygen with ethoxycarbonyl derivatives of tetrathiatriarylmethyl radicals. The Journal of Organic Chemistry. 71: 7268-79. PMID 16958520 DOI: 10.1021/jo0610560  1
2006 Maslak V, Yan Z, Xia S, Gallucci J, Hadad CM, Badji? JD. Design, synthesis, and conformational dynamics of a gated molecular basket. Journal of the American Chemical Society. 128: 5887-94. PMID 16637657 DOI: 10.1021/ja060534l  1
2006 Levering LM, Hayes CJ, Callahan KM, Hadad CM, Allen HC. Non-aqueous solvation of n-octanol and ethanol: spectroscopic and computational studies. The Journal of Physical Chemistry. B. 110: 6325-31. PMID 16553450 DOI: 10.1021/jp0570465  1
2006 Hamilton EJ, Kultyshev RG, Du B, Meyers EA, Liu S, Hadad CM, Shore SG. A stacking interaction between a bridging hydrogen atom and aromatic pi density in the n-B18H22-benzene system. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 2571-8. PMID 16411258 DOI: 10.1002/chem.200501043  1
2006 Onchoke KK, Hadad CM, Dutta PK. Structure and vibrational spectra of mononitrated benzo[a]pyrenes. The Journal of Physical Chemistry. A. 110: 76-84. PMID 16392842 DOI: 10.1021/jp054881d  1
2006 Merle JK, Hadad CM. Reactive Intermediates in Combustion Reviews of Reactive Intermediate Chemistry. 247-270. DOI: 10.1002/9780470120828.ch6  1
2005 Hommel EL, Merle JK, Ma G, Hadad CM, Allen HC. Spectroscopic and computational studies of aqueous ethylene glycol solution surfaces. The Journal of Physical Chemistry. B. 109: 811-8. PMID 16866446 DOI: 10.1021/jp046715w  1
2005 Merle JK, Hayes CJ, Zalyubovsky SJ, Glover BG, Miller TA, Hadad CM. Theoretical determinations of the ambient conformational distribution and unimolecular decomposition of n-propylperoxy radical. The Journal of Physical Chemistry. A. 109: 3637-46. PMID 16839029 DOI: 10.1021/jp050444n  1
2005 Villamena FA, Merle JK, Hadad CM, Zweier JL. Superoxide radical anion adduct of 5,5-dimethyl-1-pyrroline N-oxide (DMPO). 2. The thermodynamics of decay and EPR spectral properties. The Journal of Physical Chemistry. A. 109: 6089-98. PMID 16833946 DOI: 10.1021/jp0524330  1
2005 Villamena FA, Merle JK, Hadad CM, Zweier JL. Superoxide radical anion adduct of 5,5-dimethyl-1-pyrroline n-oxide (DMPO). 1. The thermodynamics of formation and its acidity. The Journal of Physical Chemistry. A. 109: 6083-8. PMID 16833945 DOI: 10.1021/jp052431f  1
2005 Mandel S, Liu J, Hadad CM, Platz MS. Study of singlet and triplet 2,6-difluorophenylnitrene by time-resolved infrared spectroscopy. The Journal of Physical Chemistry. A. 109: 2816-21. PMID 16833595 DOI: 10.1021/jp045254b  1
2005 Poole JS, Shi X, Hadad CM, Platz MS. Reaction of hydroxyl radical with aromatic hydrocarbons in nonaqueous solutions: A laser flash photolysis study in acetonitrile. The Journal of Physical Chemistry. A. 109: 2547-51. PMID 16833557 DOI: 10.1021/jp0452150  1
2005 Villamena FA, Hadad CM, Zweier JL. Comparative DFT study of the spin trapping of methyl, mercapto, hydroperoxy, superoxide, and nitric oxide radicals by various substituted cyclic nitrones. The Journal of Physical Chemistry. A. 109: 1662-74. PMID 16833491 DOI: 10.1021/jp0451492  1
2005 Zalyubovsky SJ, Glover BG, Miller TA, Hayes C, Merle JK, Hadad CM. Observation of the A-X electronic transition of the 1-C3H7O2 and 2-C3H7O2 radicals using cavity ringdown spectroscopy. The Journal of Physical Chemistry. A. 109: 1308-15. PMID 16833445 DOI: 10.1021/jp0457850  1
2005 Chisholm MH, Feil F, Hadad CM, Patmore NJ. Electronically coupled MM quadruply-bonded complexes (M = Mo or W) employing functionalized terephthalate bridges: toward molecular rheostats and switches. Journal of the American Chemical Society. 127: 18150-8. PMID 16366568 DOI: 10.1021/ja0550982  1
2005 Burdzinski GT, Gustafson TL, Hackett JC, Hadad CM, Platz MS. The direct detection of an aryl azide excited state: an ultrafast study of the photochemistry of para- and ortho-biphenyl azide. Journal of the American Chemical Society. 127: 13764-5. PMID 16201777 DOI: 10.1021/ja054135m  1
2005 Kroner SM, Dematteo MP, Hadad CM, Carpenter BK. The gas-phase acidity of 2(3H)-oxepinone: a step toward an experimental heat of formation for the 2-oxepinoxy radical. Journal of the American Chemical Society. 127: 7466-73. PMID 15898796 DOI: 10.1021/ja050173u  1
2005 DeMatteo MP, Poole JS, Shi X, Sachdeva R, Hatcher PG, Hadad CM, Platz MS. On the electrophilicity of hydroxyl radical: a laser flash photolysis and computational study. Journal of the American Chemical Society. 127: 7094-109. PMID 15884952 DOI: 10.1021/ja043692q  1
2005 Chisholm MH, D'Acchioli JS, Hadad CM, Patmore NJ. Studies of oxalate-bridged MM quadruple bonds and their radical cations (M=Mo or W): on the matter of linkage isomers. Dalton Transactions (Cambridge, England : 2003). 1852-7. PMID 15877158 DOI: 10.1039/b501938a  1
2005 Hackett JC, Brueggemeier RW, Hadad CM. The final catalytic step of cytochrome p450 aromatase: a density functional theory study. Journal of the American Chemical Society. 127: 5224-37. PMID 15810858 DOI: 10.1021/ja044716w  1
2005 Liu J, Hadad CM, Platz MS. The reaction of triplet nitrenes with oxygen: a computational study. Organic Letters. 7: 549-52. PMID 15704891 DOI: 10.1021/ol047782b  1
2005 Dematteo MP, Snyder NL, Morton M, Baldisseri DM, Hadad CM, Peczuh MW. Septanose carbohydrates: synthesis and conformational studies of methyl alpha-D-glycero-D-idoseptanoside and methyl beta-D-glycero-D-guloseptanoside. The Journal of Organic Chemistry. 70: 24-38. PMID 15624903 DOI: 10.1021/jo048932z  1
2005 Deshmukh AP, Simpson AJ, Hadad CM, Hatcher PG. Insights into the structure of cutin and cutan from Agave americana leaf cuticle using HRMAS NMR spectroscopy Organic Geochemistry. 36: 1072-1085. DOI: 10.1016/j.orggeochem.2005.02.005  1
2004 Liu J, Mandel S, Hadad CM, Platz MS. A comparison of acetyl- and methoxycarbonylnitrenes by computational methods and a laser flash photolysis study of benzoylnitrene. The Journal of Organic Chemistry. 69: 8583-93. PMID 15575733 DOI: 10.1021/jo048433y  1
2004 Villamena FA, Rockenbauer A, Gallucci J, Velayutham M, Hadad CM, Zweier JL. Spin trapping by 5-carbamoyl-5-methyl-1-pyrroline N-oxide (AMPO): theoretical and experimental studies. The Journal of Organic Chemistry. 69: 7994-8004. PMID 15527282 DOI: 10.1021/jo049244i  1
2004 Byrnes MJ, Chisholm MH, Clark RJ, Gallucci JC, Hadad CM, Patmore NJ. Thienyl carboxylate ligands bound to and bridging MM quadruple bonds, M = Mo or W: models for polythiophenes incorporating MM quadruple bonds. Inorganic Chemistry. 43: 6334-44. PMID 15446881 DOI: 10.1021/ic040086n  1
2004 Byrnes MJ, Chisholm MH, Dye DF, Hadad CM, Pate BD, Wilson PJ, Zaleski JM. 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. Dalton Transactions (Cambridge, England : 2003). 523-9. PMID 15252513 DOI: 10.1039/b312613g  1
2004 Chisholm MH, Clark RJ, Gallucci J, Hadad CM, Patmore NJ. Electronically-coupled tungsten-tungsten quadruple bonds: comparisons of electron delocalization in 3,6-dioxypyridazine and oxalate-bridged compounds. Journal of the American Chemical Society. 126: 8303-13. PMID 15225073 DOI: 10.1021/ja048768x  1
2004 Villamena FA, Hadad CM, Zweier JL. Theoretical study of the spin trapping of hydroxyl radical by cyclic nitrones: a density functional theory approach. Journal of the American Chemical Society. 126: 1816-29. PMID 14871114 DOI: 10.1021/ja038838k  1
2004 Chisholm MH, Clark RJ, Hadad CM, Patmore NJ. 3,6-dioxypyridazine bridged tungsten-tungsten quadruple bonds. Comparisons of electron delocalisation with oxalate bridged compounds. Chemical Communications (Cambridge, England). 80-2. PMID 14737342 DOI: 10.1039/b310982h  1
2004 Onchoke KK, Hadad CM, Dutta PK. Density functional theoretical study of nitrated polycyclic aromatic hydrocarbons Polycyclic Aromatic Compounds. 24: 37-64. DOI: 10.1080/10406630490277443  1
2004 Byrnes MJ, Chisholm MH, Hadad CM, Zhou Z. Regioregular and regioirregular oligoether carbonates: A 13C{ 1H} NMR investigation Macromolecules. 37: 4139-4145. DOI: 10.1021/ma049850f  1
2004 Merle JK, Hadad CM. Computational study of the oxygen initiated decomposition of 2-oxepinoxy radical: A key intermediate in the oxidation of benzene Journal of Physical Chemistry A. 108: 8419-8433. DOI: 10.1021/jp047317w  1
2004 Merle JK, Hadad CM. Theoretical study of the rates and branching ratios for the reaction of acrolein with hydroxyl radical Acs National Meeting Book of Abstracts. 227.  1
2003 Chisholm MH, Gallucci J, Hadad CM, Huffman JC, Wilson PJ. 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. Journal of the American Chemical Society. 125: 16040-9. PMID 14677996 DOI: 10.1021/ja0301065  1
2003 Pavlos CM, Cohen AD, D'Sa RA, Sunoj RB, Wasylenko WA, Kapur P, Relyea HA, Kumar NA, Hadad CM, Toscano JP. Photochemistry of 1-(N,N-diethylamino)diazen-1-ium-1,2-diolate: an experimental and computational investigation. Journal of the American Chemical Society. 125: 14934-40. PMID 14640671 DOI: 10.1021/ja034487y  1
2003 Briggs MK, Desavis E, Mazzer PA, Sunoj RB, Hatcher SA, Hadad CM, Hatcher PG. A new approach to evaluating the extent of Michael adduct formation to PAH quinones: tetramethylammonium hydroxide (TMAH) thermochemolysis with GC/MS. Chemical Research in Toxicology. 16: 1484-92. PMID 14615976 DOI: 10.1021/tx0341512  1
2003 Tsao ML, Hadad CM, Platz MS. Computational study of the halogen atom-benzene complexes. Journal of the American Chemical Society. 125: 8390-9. PMID 12837112 DOI: 10.1021/ja035095u  1
2003 Darwish OS, Callam CS, Hadad CM, Lowary TL. Regioselectivity in Alkylation Reactions of 1,2-O-Stannylene Acetals of D-Arabinofuranose Journal of Carbohydrate Chemistry. 22: 963-981. DOI: 10.1081/CAR-120026604  1
2003 Chisholm MH, Click DR, Gallucci JC, Hadad CM, Wilson PJ. Alkyne adducts of [W2(OCH2 tBu)8]. Cases of perpendicular and skewed bridges in equilibrium with terminal bonded isomers Organometallics. 22: 4725-4733. DOI: 10.1021/om030498o  1
2003 Villamena FA, Hadad CM, Zweier JL. Kinetic study and theoretical analysis of hydroxyl radical trapping and spin adduct decay of alkoxycarbonyl and dialkoxyphosphoryl nitrones in aqueous media Journal of Physical Chemistry A. 107: 4407-4414. DOI: 10.1021/jp027829f  1
2003 Houseknecht JB, Lowary TL, Hadad CM. Gas- and solution-phase energetics of the methyl α- and β-D-aldopentofuranosides Journal of Physical Chemistry A. 107: 5763-5777. DOI: 10.1021/jp027716w  1
2003 Houseknecht JB, Lowary TL, Hadad CM. Improved Karplus equations for 3JC1,H4 in aldopentofuranosides: Application to the conformational preferences of the methyl aldopentofuranosides Journal of Physical Chemistry A. 107: 372-378. DOI: 10.1021/jp026610y  1
2003 Rauckhorst MR, Wilson PJ, Hatcher SA, Hadad CM, Parquette JR. 'Locking' dendrimer conformation through metal coordination Tetrahedron. 59: 3917-3923. DOI: 10.1016/S0040-4020(03)00460-5  1
2003 Chisholm MH, Click DR, Gallucci JC, Hadad CM. Reactions of [W2(OCH2 tBu)8] (M=M) with diazobenzene and trimethylsilyldiazomethane. Preparation and structures of W2(OCH2 tBu)8(NPh) and W2(OCH2 tBu)8(N2C(H) SiMe3) Dalton Transactions. 3205-3210.  1
2002 Bursten BE, Chisholm MH, Clark RJ, Firth S, Hadad CM, Wilson PJ, Woodward PM, Zaleski JM. Perfluoroterephthalate bridged complexes with M-M quadruple bonds: ((t)BuCO(2))(3)M(2)(mu-O(2)CC(6)F(4)CO(2))M(2)(O(2)C(t)Bu)(3), where M = Mo or W. Studies of solid-state, molecular, and electronic structure and correlations with electronic and Raman spectral data. Journal of the American Chemical Society. 124: 12244-54. PMID 12371866 DOI: 10.1021/ja020248j  1
2002 Martin CB, Tsao ML, Hadad CM, Platz MS. The reaction of triplet flavin with indole. A study of the cascade of reactive intermediates using density functional theory and time resolved infrared spectroscopy. Journal of the American Chemical Society. 124: 7226-34. PMID 12059249 DOI: 10.1021/ja0123711  1
2002 Farlow RA, Thamattoor DM, Sunoj RB, Hadad CM. Rearrangement pathways of 2-hydroxy-2-methylpropylidene: an experimental and computational study. The Journal of Organic Chemistry. 67: 3257-65. PMID 12003533 DOI: 10.1021/jo0160827  1
2002 Poole JS, Hadad CM, Platz MS, Fredin ZP, Pickard L, Guerrero EL, Kessler M, Chowdhury G, Kotandeniya D, Gates KS. Photochemical electron transfer reactions of tirapazamine. Photochemistry and Photobiology. 75: 339-45. PMID 12003122 DOI: 10.1562/0031-8655(2002)075<0339:PETROT>2.0.CO;2  1
2002 Geise CM, Wang Y, Mykhaylova O, Frink BT, Toscano JP, Hadad CM. Computational and experimental studies of the effect of substituents on the singlet-triplet energy gap in phenyl(carbomethoxy)carbene. The Journal of Organic Chemistry. 67: 3079-88. PMID 11975570 DOI: 10.1021/jo0255330  1
2002 Geise CM, Hadad CM. Substituent effects in the interconversion of phenylcarbene, bicyclo[4.1.0]hepta-2,4,6-triene, and 1,2,4,6-cycloheptatetraene. The Journal of Organic Chemistry. 67: 2532-40. PMID 11950298 DOI: 10.1021/jo0162181  1
2002 Bursten BE, Chisholm MH, Clark RJ, Firth S, Hadad CM, MacIntosh AM, Wilson PJ, Woodward PM, Zaleski JM. 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. Journal of the American Chemical Society. 124: 3050-63. PMID 11902897 DOI: 10.1021/ja011786j  1
2002 Wang Y, Hadad CM, Toscano JP. Solvent dependence of the 2-naphthyl(carbomethoxy)carbene singlet-triplet energy gap. Journal of the American Chemical Society. 124: 1761-7. PMID 11853454 DOI: 10.1021/ja012139v  1
2002 Geise CM, Hadad CM, Zheng F, Shevlin PB. An experimental and computational evaluation of the energetics of the isomeric methoxyphenylcarbenes generated in carbon atom reactions. Journal of the American Chemical Society. 124: 355-64. PMID 11782188 DOI: 10.1021/ja012079t  1
2002 Nimlos MR, Davico G, Geise CM, Wenthold PG, Lineberger WC, Blanksby SJ, Hadad CM, Petersson GA, Ellison GB. Photoelectron spectroscopy of HCCN- and HCNC- reveals the quasilinear triplet carbenes, HCCN and HCNC Journal of Chemical Physics. 117: 4323-4339. DOI: 10.1063/1.1496473  1
2002 Martin CB, Shi X, Tsao ML, Karweik D, Brooke J, Hadad CM, Platz MS. The photochemistry of riboflavin tetraacetate and nucleosides. A study using density functional theory, laser flash photolysis, fluorescence, UV-vis, and time resolved infrared spectroscopy Journal of Physical Chemistry B. 106: 10263-10271. DOI: 10.1021/jp026051v  1
2002 Hill BT, Zhu Z, Boeder A, Hadad CM, Platz MS. Bystander effects on carbene rearrangements: A computational study Journal of Physical Chemistry A. 106: 4970-4979. DOI: 10.1021/jp020108w  1
2002 Chisholm MH, Click DR, Gallucci JC, Hadad CM, Wilson PJ. Alkyne adducts of [W2(OCH2 tBu)8]n (M = M): Comparisons of bridging and terminal addition products Journal of the American Chemical Society. 124: 14518-14519. DOI: 10.1021/ja027478i  1
2002 Tsao ML, Hadad CM, Platz MS. A computational study of cyclopropylnitrene Tetrahedron Letters. 43: 745-748. DOI: 10.1016/S0040-4039(01)02277-8  1
2002 Gross KC, Seybold PG, Hadad CM. Comparison of different atomic charge schemes for predicting pKa variations in substituted anilines and phenols International Journal of Quantum Chemistry. 90: 445-458. DOI: 10.1002/qua.10108  1
2002 Hollingsworth CA, Seybold PG, Hadad CM. Explicitly correlated SCF study of anharmonic vibrations in (H2O)2 International Journal of Quantum Chemistry. 90: 1414-1420.  1
2001 Callam CS, Singer SJ, Lowary TL, Hadad CM. 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. Journal of the American Chemical Society. 123: 11743-54. PMID 11716731 DOI: 10.1021/ja011785r  1
2001 Houseknecht JB, McCarren PR, Lowary TL, Hadad CM. Conformational studies of methyl 3-O-methyl-alpha-D-arabinofuranoside: an approach for studying the conformation of furanose rings. Journal of the American Chemical Society. 123: 8811-24. PMID 11535088 DOI: 10.1021/ja003768s  1
2001 Gritsan NP, Gudmundsdóttir AD, Tigelaar D, Zhu Z, Karney WL, Hadad CM, Platz MS. A laser flash photolysis and quantum chemical study of the fluorinated derivatives of singlet phenylnitrene. Journal of the American Chemical Society. 123: 1951-62. PMID 11456816 DOI: 10.1021/ja9944305  1
2001 McCarren PR, Gordon MT, Lowary TL, Hadad CM. Computational studies of the arabinofuranose ring: Conformational preferences of fully relaxed methyl α-D-arabinofuranoside Journal of Physical Chemistry A. 105: 5911-5922. DOI: 10.1021/jp004611p  1
2001 Bursten BE, Chisholm MH, Hadad CM, Li J, Wilson PJ. Electronic coupling between molybdenum and tungsten quadruple bonds in molecular squares and extended chains linked by oxalate, acetylenedicarboxylate, and perfluoroterephthalate bridges Israel Journal of Chemistry. 41: 187-195.  1
2001 Bursten BE, Chisholm MH, Hadad CM, Li J, Wilson PJ. M2 δ-to-oxalate π* conjugation in oxalate-bridged complexes containing M-M quadruple bonds Chemical Communications. 2382-2383.  1
2001 Bollinger JC, Chisholm MH, Click DR, Folting K, Hadad CM, Tiedtke DB, Wilson PJ. Chalcogenide-bridged ditungsten (M-M) complexes: An experimental and theoretical study of the electronic structure and bonding in W2(μ-E)(μ-OCH2 tBu)2(OCH 2 tBu)6, where E = O, S, Se or Te Journal of the Chemical Society, Dalton Transactions. 2074-2082.  1
2001 Barckholtz C, Barckholtz TA, Hadad CM. A mechanistic study of the reactions of H, O (3P), and OH with monocyclic aromatic hydrocarbons by density functional theory Journal of Physical Chemistry A. 105: 140-152.  1
2000 Geise CM, Hadad CM. Computational study of the electronic structure of substituted phenylcarbene in the gas phase The Journal of Organic Chemistry. 65: 8348-56. PMID 11101395 DOI: 10.1021/jo005655x  1
2000 Borden WT, Gritsan NP, Hadad CM, Karney WL, Kemnitz CR, Platz MS. The interplay of theory and experiment in the study of phenylnitrene. Accounts of Chemical Research. 33: 765-71. PMID 11087313 DOI: 10.1021/ar990030a  1
2000 O'Hair RA, Broughton PS, Styles ML, Frink BT, Hadad CM. The fragmentation pathways of protonated glycine: a computational study. Journal of the American Society For Mass Spectrometry. 11: 687-96. PMID 10937791 DOI: 10.1016/S1044-0305(00)00143-4  1
2000 Cohen MH, Barckhoitz C, Frink BT, Bond JJ, Michael Geise C, Hoff J, Herlinger J, Hickey T, Hadad CM. Reactions of Ar+ with selected volatile organic compounds. A flowing afterglow and selected ion flow tube study Journal of Physical Chemistry A. 104: 11318-11327. DOI: 10.1021/jp002489o  1
2000 Fadden MJ, Hadad CM. Unimolecular decomposition of the 2-oxepinoxy radical: A key seven-membered ring intermediate in the thermal oxidation of benzene Journal of Physical Chemistry A. 104: 8121-8130. DOI: 10.1021/jp0017238  1
2000 Fadden MJ, Hadad CM. Rearrangement pathways of arylperoxy radicals. 2. Five-membered heterocycles Journal of Physical Chemistry A. 104: 6324-6331. DOI: 10.1021/jp0012202  1
2000 Gordon MT, Lowary TL, Hadad CM. Probing furanose ring conformation by gas-phase computational methods: Energy profile and structural parameters in methyl β-D-arabinofuranoside as a function of ring conformation Journal of Organic Chemistry. 65: 4954-4963. DOI: 10.1021/jo000426w  1
2000 Geise CM, Hadad CM. Formation of anti-bredt olefins from bridgehead carbene precursors: A computational study Journal of the American Chemical Society. 122: 5861-5865. DOI: 10.1021/ja000295g  1
2000 Fadden MJ, Hadad CM. Rearrangement pathways of arylperoxy radicals. I. The azabenzenes Journal of Physical Chemistry A. 104: 6088-6094.  1
2000 Kozankiewicz B, Aloshyna M, Sienkiewicz A, Orrit M, Tamarat P, Hadad CM, Snoonian JR, Platz MS. 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 Journal of Physical Chemistry A. 104: 5213-5218.  1
2000 Showalter BM, Bentz TC, Ryzhkov LR, Hadad CM, Toscano JP. Time-resolved infrared studies of triplet 1,3-cyclopentanediyl Journal of Physical Organic Chemistry. 13: 309-312.  1
2000 Aloshyna M, Kozankiewicz B, Hadad CM, Snoonian JR, Platz MS. Spectroscopic studies of 12-oxo-5(12H)-naphthacenylidene and 7H-benz[de]anthracen-7-ylidene in shpolskii matrixes at 5 K Journal of Physical Chemistry A. 104: 3391-3397.  1
2000 Fadden MJ, Barckholtz C, Hadad CM. Computational study of the unimolecular decomposition pathways of phenylperoxy radical Journal of Physical Chemistry A. 104: 3004-3011.  1
1999 Thamattoor DM, Snoonian JR, Sulzbach HM, Hadad CM. Experimental and theoretical investigations of ring-expansion in 1- methylcyclopropylcarbene Journal of Organic Chemistry. 64: 5886-5895. DOI: 10.1021/jo9903454  1
1999 Gordon MT, Lowary TL, Hadad CM. A computational study of methyl α-D-arabinofuranoside: Effect of ring conformation on structural parameters and energy profile Journal of the American Chemical Society. 121: 9682-9692. DOI: 10.1021/ja9915091  1
1999 Barckholtz C, Barckholtz TA, Hadad CM. C-H and N-H bond dissociation energies of small aromatic hydrocarbons Journal of the American Chemical Society. 121: X-498.  1
1999 Kozankiewicz B, Deperasiñska I, Zhai HB, Zhu Z, Hadad CM. Spectroscopic and Computational Studies of Perfluorophenyl and Perfluoro-2-naphthyl Nitrenes in Shpolskii Matrixes Journal of Physical Chemistry A. 103: 5003-5010.  1
1999 Frink BT, Hadad CM. Flowing afterglow study of the gas phase nucleophilic reactions of some formyl, acetyl and cyclic esters Journal of the Chemical Society. Perkin Transactions 2. 2397-2407.  1
1991 Wiberg KB, Hadad CM, Breneman CM, Laidig KE, Murcko MA, Lepage TJ. The response of electrons to structural changes. Science (New York, N.Y.). 252: 1266-72. PMID 17842952 DOI: 10.1126/science.252.5010.1266  1
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