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 | 302 | 2000 |
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 | 278 | 1992 |
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 | 251 | 2002 |
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 | 233 | 1999 |
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 | 207 | 2015 |
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 | 186 | 2002 |
Electronically excited states of ethylene KB Wiberg, CM Hadad, JB Foresman, WA Chupka The Journal of Physical Chemistry 96 (26), 10756-10768, 1992 | 183 | 1992 |
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 | 180 | 1992 |
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 | 179 | 2012 |
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 | 171 | 2001 |
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 | 170 | 2006 |
Photochemical fate of sulfadimethoxine in aquaculture waters JJ Guerard, YP Chin, H Mash, CM Hadad Environmental science & technology 43 (22), 8587-8592, 2009 | 168 | 2009 |
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 | 157 | 1993 |
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 | 145 | 1999 |
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 | 130 | 2005 |
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 | 128 | 2002 |
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 | 125 | 2005 |
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 | 118 | 1997 |
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 | 116 | 2001 |
On the electrophilicity of hydroxyl radical: a laser flash photolysis and computational study MP DeMatteo, JS Poole, X Shi, R Sachdeva, PG Hatcher, CM Hadad, ... Journal of the American Chemical Society 127 (19), 7094-7109, 2005 | 109 | 2005 |