Oxidation of 4a,4b‐Dihydrophenanthrenes. III. A Theoretical Study of the Large Kinetic Isotope Effect of Deuterium in the Initiation Step of the Thermal Reaction with Oxygen-Reference-Cited by-同舟云学术

Oxidation of 4a,4b‐Dihydrophenanthrenes. III. A Theoretical Study of the Large Kinetic Isotope Effect of Deuterium in the Initiation Step of the Thermal Reaction with Oxygen

Published:1970-02 Issue:3 Volume:52 Page:1262-1269
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Warshel A.,Bromberg A.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1673124

Reference19 articles.

1. Oxidation of 4a,4b-dihydrophenanthrenes. I. Kinetics of the thermal reaction of 9,10-cyclopentano-4a,4b-dihydrophenanthrene with oxygen

2. Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane andn‐Alkane Molecules

3. A valence force field for saturated hydrocarbons

4. Conjugation and non-bonded interaction

5. Transferability of Urey‐Bradley Force Constants. V. Bromoethylenes

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