Ab Initio Calculation of Entropy and Heat Capacity of Gas-Phase n-Alkanes Using Internal Rotations-Reference-Cited by-同舟云学术

Ab Initio Calculation of Entropy and Heat Capacity of Gas-Phase n-Alkanes Using Internal Rotations

Published:2003-04-08 Issue:17 Volume:107 Page:3139-3145
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Vansteenkiste P.¹,Van Speybroeck V.¹,Marin G. B.¹,Waroquier M.¹

Affiliation:

1. Laboratory of Theoretical Physics, Ghent University, Proeftuinstraat 86, B-9000 Gent, Belgium, and Laboratorium van Petrochemische Techniek, Ghent University, Krijgslaan 281, B-9000 Gent, Belgium

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp027132u

Reference26 articles.

1. Ab Initio Study of Radical Reactions: Role of Coupled Internal Rotations on the Reaction Kinetics (III)

2. Ab Initio Study of Radical Reactions: Cyclization Pathways for the Butylbenzene Radical (II)

3. Ab Initio Study of Radical Addition Reactions: Addition of a Primary Ethylbenzene Radical to Ethene (I)

4. Determination of Arrhenius Parameters for Propagation in Free-Radical Polymerizations: An Assessment of ab Initio Procedures

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