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David C. Chatfield - Publications

Affiliations: 
1995- Florida International University, Miami, FL, United States 
Area:
Physical Chemistry, Biochemistry, Bioinformatics Biology
Website:
https://casfaculty.fiu.edu/David.Chatfield/
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16 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
2013 D'Cunha C, Morozov AN, Chatfield DC. Theoretical study of HOCl-catalyzed keto-enol tautomerization of β-cyclopentanedione in an explicit water environment. The Journal of Physical Chemistry. A. 117: 8437-48. PMID 23902476 DOI: 10.1021/jp401409y  0.678
2011 Morozov AN, D'Cunha C, Alvarez CA, Chatfield DC. Enantiospecificity of chloroperoxidase-catalyzed epoxidation: biased molecular dynamics study of a cis-β-methylstyrene/chloroperoxidase-compound I complex. Biophysical Journal. 100: 1066-75. PMID 21320452 DOI: 10.1016/J.Bpj.2010.12.3729  0.689
2004 Chatfield DC, Augsten A, D'Cunha C. Correlation times and adiabatic barriers for methyl rotation in SNase. Journal of Biomolecular Nmr. 29: 377-85. PMID 15213436 DOI: 10.1023/B:Jnmr.0000032553.13686.0B  0.686
2004 Chatfield D, Augsten A, D'Cunha C, Lewandowska E, Wnuk S. Theoretical and Experimental Study of the Regioselectivity of Michael Additions European Journal of Organic Chemistry. 2004: 313-322. DOI: 10.1002/Ejoc.200300523  0.662
2003 Chatfield DC, Augsten A, D'Cunha C, Wong SE. Methyl dynamics in crystalline amino acids: MD and NMR. Journal of Computational Chemistry. 24: 1052-8. PMID 12759905 DOI: 10.1002/Jcc.10263  0.686
2000 Chatfield DC, Mielke SL, Allison TC, Truhlar DG. Quantized dynamical bottlenecks and transition state control of the reaction of D with H2: Effect of varying the total angular momentum The Journal of Chemical Physics. 112: 8387-8408. DOI: 10.1063/1.481443  0.648
1993 Reeves MS, Chatfield DC, Truhlar DG. Preconditioned complex generalized minimal residual algorithm for dense algebraic variational equations in quantum reactive scattering The Journal of Chemical Physics. 99: 2739-2751. DOI: 10.1063/1.465182  0.66
1993 Chatfield DC, Friedman RS, Lynch GC, Truhlar DG, Schwenke DW. The nature and role of quantized transition states in the accurate quantum dynamics of the reaction O+H2→OH+H The Journal of Chemical Physics. 98: 342-362. DOI: 10.1063/1.464627  0.437
1992 Chatfield DC, Reeves MS, Truhlar DG, Duneczky C, Schwenke DW. Complex generalized minimal residual algorithm for iterative solution of quantum‐mechanical reactive scattering equations The Journal of Chemical Physics. 97: 8322-8333. DOI: 10.1063/1.463402  0.656
1992 Chatfield DC, Truhlar DG, Schwenke DW. State‐selected chemical reaction dynamics at the S matrix level: Final‐state specificities of near‐threshold processes at low and high energies The Journal of Chemical Physics. 96: 4313-4323. DOI: 10.1063/1.462824  0.434
1992 Chatfield DC, Friedman RS, Schwenke DW, Truhlar DG. Control of chemical reactivity by quantized transition states The Journal of Physical Chemistry. 96: 2414-2421. DOI: 10.1021/J100185A007  0.367
1992 Chatfield DC, Friedman RS, Lynch GC, Truhlar DG. Quantized transition-state structure in the cumulative reaction probabilities for chlorine atom + hydrogen chloride, iodine atom + hydrogen iodide, and iodine atom + deuterium iodide reactions The Journal of Physical Chemistry. 96: 57-63. DOI: 10.1021/J100180A015  0.399
1991 Chatfield DC, Truhlar DG, Schwenke DW. Benchmark calculations of thermal reaction rates. I. Quantal scattering theory The Journal of Chemical Physics. 94: 2040-2044. DOI: 10.1063/1.459925  0.38
1991 Chatfield DC, Friedman RS, Truhlar DG, Schwenke DW. Quantum-dynamical characterization of reactive transition states Faraday Discussions of the Chemical Society. 91: 289-304. DOI: 10.1039/Dc9919100289  0.39
1991 Chatfield DC, Friedman RS, Truhlar DG, Garrett BC, Schwenke DW. Global control of suprathreshold reactivity by quantized transition states Journal of the American Chemical Society. 113: 486-494. DOI: 10.1021/Ja00002A016  0.588
1989 Duneczky C, Wyatt RE, Chatfield D, Haug K, Schwenke DW, Truhlar DG, Sun Y, Kouri DJ. Iterative methods for solving the non-sparse equations of quantum mechanical reactive scattering Computer Physics Communications. 53: 357-379. DOI: 10.1016/0010-4655(89)90173-2  0.364
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