Ab Initio Calculations of the Reactions of Hydrogen with Methanol: A Comparison of the Role of Bond Distortions and Pauli Repulsions on the Intrinsic Barriers for Chemical Reactions-Reference-Cited by-同舟云学术

Ab Initio Calculations of the Reactions of Hydrogen with Methanol: A Comparison of the Role of Bond Distortions and Pauli Repulsions on the Intrinsic Barriers for Chemical Reactions

Published:1998-10-28 Issue:46 Volume:102 Page:9267-9277
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Blowers Paul¹,Ford Laura¹,Masel Rich¹

Affiliation:

1. Department of Chemical Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801-3792

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp982056%2B

Reference30 articles.

1. Inertia and driving force of chemical reactions

2. Intrinsic barriers in nucleophilic displacements. A general model for intrinsic nucleophilicity toward methyl centers

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