Benchmark Results for Hydrogen Atom Transfer between Carbon Centers and Validation of Electronic Structure Methods for Bond Energies and Barrier Heights-Reference-Cited by-同舟云学术

Benchmark Results for Hydrogen Atom Transfer between Carbon Centers and Validation of Electronic Structure Methods for Bond Energies and Barrier Heights

Published:2004-03-10 Issue:13 Volume:108 Page:2475-2486
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Dybala-Defratyka Agnieszka¹,Paneth Piotr¹,Pu Jingzhi¹,Truhlar Donald G.¹

Affiliation:

1. Institute of Applied Radiation Chemistry, Technical University of Lodz, Zeromskiego 116, 90-924 Lodz, Poland, and Department of Chemistry and Supercomputer Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp037312j

Reference103 articles.

1. (b) Kreevoy, M. M.; Truhlar, D. G. InInvestigation ofRates and Mechanisms of Reactions; Bernasconi, C. F., Ed.; Techniques of Chemistry; Wiley: New York, 1986; Vol. b, Part I, pp 13−95.

2. Current Status of Transition-State Theory

3. QUANTUM MECHANICAL METHODS FOR ENZYME KINETICS

4. Deuterium kinetic isotope effect and stopped-flow kinetic studies of the quinoprotein methylamine dehydrogenase

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