autoDIAS: a python tool for an automated distortion/interaction activation strain analysis-Reference-Cited by-同舟云学术

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autoDIAS: a python tool for an automated distortion/interaction activation strain analysis

Published:2019-07-07 Issue:28 Volume:40 Page:2509-2515
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Svatunek Dennis¹^ORCID,Houk Kendall N.¹

Affiliation:

1. Department of Chemistry and BiochemistryUniversity of California Los Angeles California

Funder

Austrian Science Fund

Hochschuljubiläumsstiftung der Stadt Wien

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26023

Reference50 articles.

1. Distortion/Interaction Energy Control of 1,3-Dipolar Cycloaddition Reactivity

2. The activation strain model and molecular orbital theory: understanding and designing chemical reactions

3. Understanding reactivity with Kohn-Sham molecular orbital theory: E2-SN2 mechanistic spectrum and other concepts

4. Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model

5. Molecular Orbital Studies of Hydrogen Bonds. III. C=O···H–O Hydrogen Bond in H2CO···H2O and H2CO···2H2O

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