Assessing the attractive/repulsive force balance in axial cyclohexane C-Hax···Yaxcontacts: A combined computational analysis in monosubstituted cyclohexanes-Reference-Cited by-同舟云学术

Assessing the attractive/repulsive force balance in axial cyclohexane C-Hax···Yaxcontacts: A combined computational analysis in monosubstituted cyclohexanes

Published:2016-09-29 Issue:30 Volume:37 Page:2647-2658
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Silva Lopez Carlos¹,Nieto Faza Olalla¹,De Proft Frank²,Kolocouris Antonios³

Affiliation:

1. Departamento de Química Orgánica; Facultade de Química, Universidade de Vigo; Vigo, 63 Spain310

2. Eenheid Algemene Chemie, Faculteit Wetenschappen; Vrije Universiteit Brussel; Pleinlaan 2 Brussels B-1050 Belgium

3. Faculty of Pharmacy, Department of Pharmaceutical Chemistry; National and Kapodistrian University of Athens; Panepistimioupolis-Zografou Athens 15771 Greece

Funder

Ministerio de Economía y Competitividad

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference99 articles.

1. n

2. The Case for Steric Repulsion Causing the Staggered Conformation of Ethane

3. Theoretical Analysis of the Rotational Barrier of Ethane

4. Hyperconjugation not steric repulsion leads to the staggered structure of ethane

5. A Critical Analysis on the Rotation Barriers in Butane

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