Quantum Mechanical Capture/Phase Space Theory Calculation of the Rate Constants for the Complex-Forming CH + H2 Reaction-Reference-Cited by-同舟云学术

Quantum Mechanical Capture/Phase Space Theory Calculation of the Rate Constants for the Complex-Forming CH + H2 Reaction

Published:2008-11-14 Issue:49 Volume:112 Page:12588-12596
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Saracibar Amaia¹,Goldfield Evelyn M.¹,Gray Stephen K.¹

Affiliation:

1. Department of Chemistry, Wayne State University, Detroit, Michigan 48202, Departamento de Química Física, Universidad del País Vasco 01006, Vitoria, Spain, and Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp805875p

Reference28 articles.

1. Reactions of carbynes. Potential energy surfaces for the doublet and quartet methylidyne (CH) reactions with molecular hydrogen

2. Theoretical studies of the energetics and mechanisms of chemical reactions: abstraction reactions

3. Theoretical Study of the Complex-Forming CH + H2 → CH2 + H Reaction

4. Kinetics and mechanisms of the reactions of CH and CD with H2 and D2

5. Kinetics over a wide range of temperature (13–744 K): Rate constants for the reactions of CH(ν=0) with H2 and D2 and for the removal of CH(ν=1) by H2 and D2

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2. Capture and dissociation in the complex-forming CH(v = 0,1) + D2→ CHD + D, CD2 + H, CD + HD reactions and comparison with CH(v = 0,1) + H2;Physical Chemistry Chemical Physics;2011

3. Capture and dissociation in the complex-forming CH+H2→ CH2+H, CH+H2 reactions;Physical Chemistry Chemical Physics;2011

4. Phase Space Prediction of Product Branching Ratios: Canonical Competitive Nonstatistical Model;Journal of the American Chemical Society;2009-10-07