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Christopher M Hadad
Christopher M Hadad
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The interplay of theory and experiment in the study of phenylnitrene
WT Borden, NP Gritsan, CM Hadad, WL Karney, CR Kemnitz, MS Platz
Accounts of Chemical Research 33 (11), 765-771, 2000
2912000
Analysis of the effect of electron correlation on charge density distributions
KB Wiberg, CM Hadad, TJ LePage, CM Breneman, MJ Frisch
The Journal of Physical Chemistry 96 (2), 671-679, 1992
2751992
Comparison of different atomic charge schemes for predicting pKa variations in substituted anilines and phenols*
KC Gross, PG Seybold, CM Hadad
International Journal of Quantum Chemistry 90 (1), 445-458, 2002
2432002
C− H and N− H bond dissociation energies of small aromatic hydrocarbons
C Barckholtz, TA Barckholtz, CM Hadad
Journal of the American Chemical Society 121 (3), 491-500, 1999
2241999
Dimeric [Mo2S12]2− Cluster: A Molecular Analogue of MoS2 Edges for Superior Hydrogen‐Evolution Electrocatalysis
Z Huang, W Luo, L Ma, M Yu, X Ren, M He, S Polen, K Click, B Garrett, ...
Angewandte chemie international edition 54 (50), 15181-15185, 2015
2072015
Substituent effects. 4. Nature of substituent effects at carbonyl groups
KB Wiberg, CM Hadad, PR Rablen, J Cioslowski
Journal of the American Chemical Society 114 (22), 8644-8654, 1992
1911992
Electronically excited states of ethylene
KB Wiberg, CM Hadad, JB Foresman, WA Chupka
The Journal of Physical Chemistry 96 (26), 10756-10768, 1992
1811992
Substituent effects on the electronic structure and pKa of benzoic acid
CA Hollingsworth, PG Seybold, CM Hadad
International journal of quantum chemistry 90 (4‐5), 1396-1403, 2002
1772002
Electrode-assisted catalytic water oxidation by a flavin derivative
E Mirzakulova, R Khatmullin, J Walpita, T Corrigan, NM Vargas-Barbosa, ...
Nature chemistry 4 (10), 794-801, 2012
1762012
Early events in the photochemistry of aryl azides from femtosecond UV/Vis spectroscopy and quantum chemical calculations
G Burdzinski, JC Hackett, J Wang, TL Gustafson, CM Hadad, MS Platz
Journal of the American Chemical Society 128 (41), 13402-13411, 2006
1662006
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 …
CS Callam, SJ Singer, TL Lowary, CM Hadad
Journal of the American Chemical Society 123 (47), 11743-11754, 2001
1662001
Photochemical fate of sulfadimethoxine in aquaculture waters
JJ Guerard, YP Chin, H Mash, CM Hadad
Environmental science & technology 43 (22), 8587-8592, 2009
1632009
Excited states of carbonyl compounds. 1. Formaldehyde and acetaldehyde
CM Hadad, JB Foresman, KB Wiberg
The Journal of Physical Chemistry 97 (17), 4293-4312, 1993
1571993
Laser flash photolysis and computational study of singlet phenylnitrene
NP Gritsan, Z Zhu, CM Hadad, MS Platz
Journal of the American Chemical Society 121 (6), 1202-1207, 1999
1421999
Insights into the structure of cutin and cutan from Agave americana leaf cuticle using HRMAS NMR spectroscopy
AP Deshmukh, AJ Simpson, CM Hadad, PG Hatcher
Organic Geochemistry 36 (7), 1072-1085, 2005
1272005
The reaction of triplet flavin with indole. A study of the cascade of reactive intermediates using density functional theory and time resolved infrared spectroscopy
CB Martin, ML Tsao, CM Hadad, MS Platz
Journal of the American Chemical Society 124 (24), 7226-7234, 2002
1262002
The final catalytic step of cytochrome P450 aromatase: a density functional theory study
JC Hackett, RW Brueggemeier, CM Hadad
Journal of the American Chemical Society 127 (14), 5224-5237, 2005
1202005
Hydrogen migration vs carbon migration in dialkylcarbenes. A study of the preferred product in the carbene rearrangements of ethylmethylcarbene, cyclobutylidene, 2 …
HM Sulzbach, MS Platz, HF Schaefer, CM Hadad
Journal of the American Chemical Society 119 (24), 5682-5689, 1997
1181997
A laser flash photolysis and quantum chemical study of the fluorinated derivatives of singlet phenylnitrene
NP Gritsan, AD Gudmundsdottir, D Tigelaar, Z Zhu, WL Karney, ...
Journal of the American Chemical Society 123 (9), 1951-1962, 2001
1132001
Design, synthesis, and conformational dynamics of a gated molecular basket
V Maslak, Z Yan, S Xia, J Gallucci, CM Hadad, JD Badjić
Journal of the American Chemical Society 128 (17), 5887-5894, 2006
1062006
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