| Enzyme mechanisms with hybrid quantum and molecular mechanical potentials. I. Theoretical considerations KP Eurenius, DC Chatfield, BR Brooks, M Hodoscek International Journal of Quantum Chemistry 60 (6), 1189-1200, 1996 | 275 | 1996 |
| Dynamics of molecules and chemical reactions R Wyatt CRC Press, 1996 | 250 | 1996 |
| Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom method D Das, KP Eurenius, EM Billings, P Sherwood, DC Chatfield, M Hodošček, ... The Journal of chemical physics 117 (23), 10534-10547, 2002 | 243 | 2002 |
| Molecular Dynamics of Staphylococcal Nuclease: Comparison of Simulation with 15N and 13C NMR Relaxation Data DC Chatfield, A Szabo, BR Brooks Journal of the American Chemical Society 120 (21), 5301-5311, 1998 | 134 | 1998 |
| Global control of suprathreshold reactivity by quantized transition states DC Chatfield, RS Friedman, DG Truhlar, BC Garrett, DW Schwenke Journal of the American Chemical Society 113 (2), 486-494, 1991 | 124 | 1991 |
| Control of chemical reactivity by quantized transition states DC Chatfield, RS Friedman, DW Schwenke, DG Truhlar The Journal of Physical Chemistry 96 (6), 2414-2421, 1992 | 107 | 1992 |
| HIV-1 protease cleavage mechanism elucidated with molecular dynamics simulation DC Chatfield, BR Brooks Journal of the American Chemical Society 117 (20), 5561-5572, 1995 | 90 | 1995 |
| Quantum-dynamical characterization of reactive transition states DC Chatfield, RS Friedman, DG Truhlar, DW Schwenke Faraday Discussions of the Chemical Society 91, 289-304, 1991 | 87 | 1991 |
| The nature and role of quantized transition states in the accurate quantum dynamics of the reaction O+ H2→ OH+ H DC Chatfield, RS Friedman, GC Lynch, DG Truhlar, DW Schwenke The Journal of chemical physics 98 (1), 342-362, 1993 | 74 | 1993 |
| HIV-1 protease cleavage mechanism: a theoretical investigation based on classical MD simulation and reaction path calculations using a hybrid QM/MM potential DC Chatfield, KP Eurenius, BR Brooks Journal of Molecular Structure: THEOCHEM 423 (1-2), 79-92, 1998 | 59 | 1998 |
| Quantized dynamical bottlenecks and transition state control of the reaction of D with H2: Effect of varying the total angular momentum DC Chatfield, SL Mielke, TC Allison, DG Truhlar The Journal of Chemical Physics 112 (19), 8387-8408, 2000 | 44 | 2000 |
| Christopher J. Cramer: Essentials of Computational Chemistry: Theories and Models: Wiley, New York, 2002. 562 pp (ISBN 0-471-48551-9) $110.00 D Chatfield Theoretical Chemistry Accounts 108, 367-368, 2002 | 40 | 2002 |
| 1, 3-Dipolar cycloadditions of trimethylsilyldiazomethane revisited: steric demand of the dipolarophile and the influence on product distribution D Simovic, M Di, V Marks, DC Chatfield, KS Rein The Journal of organic chemistry 72 (2), 650-653, 2007 | 34 | 2007 |
| Quantized transition-state structure in the cumulative reaction probabilities for chlorine atom+ hydrogen chloride, iodine atom+ hydrogen iodide, and iodine atom+ deuterium … DC Chatfield, RS Friedman, GC Lynch, DG Truhlar The Journal of Physical Chemistry 96 (1), 57-63, 1992 | 32 | 1992 |
| Methyl Motional Parameters in Crystalline l-Alanine: Molecular Dynamics Simulation and NMR DC Chatfield, SE Wong The Journal of Physical Chemistry B 104 (47), 11342-11348, 2000 | 25 | 2000 |
| Theoretical and experimental study of the regioselectivity of Michael additions DC Chatfield, A Augsten, C D'Cunha, E Lewandowska, SF Wnuk European Journal of Organic Chemistry 2004 (2), 313-322, 2004 | 23 | 2004 |
| Benchmark calculations of thermal reaction rates. I. Quantal scattering theory DC Chatfield, DG Truhlar, DW Schwenke The Journal of chemical physics 94 (3), 2040-2044, 1991 | 23 | 1991 |
| Iterative methods for solving the non-sparse equations of quantum mechanical reactive scattering C Duneczky, RE Wyatt, D Chatfield, K Haug, DW Schwenke, DG Truhlar, ... Computer Physics Communications 53 (1-3), 357-379, 1989 | 23 | 1989 |
| Chloroperoxidase-Catalyzed Epoxidation of cis-β-Methylstyrene: Distal Pocket Flexibility Tunes Catalytic Reactivity AN Morozov, DC Chatfield The Journal of Physical Chemistry B 116 (43), 12905-12914, 2012 | 22 | 2012 |
| Paramagnetic nuclear magnetic resonance relaxation and molecular mechanics studies of the chloroperoxidase–indole complex: insights into the mechanism of chloroperoxidase … R Zhang, Q He, D Chatfield, X Wang Biochemistry 52 (21), 3688-3701, 2013 | 21 | 2013 |
