A perspective on quantum mechanics and chemical concepts in describing noncovalent interactions-Reference-Cited by-同舟云学术

A perspective on quantum mechanics and chemical concepts in describing noncovalent interactions

Published:2018 Issue:48 Volume:20 Page:30076-30082
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Clark Timothy¹²³^ORCID,Murray Jane S.⁴⁵⁶,Politzer Peter⁴⁵⁶^ORCID

Affiliation:

1. Computer-Chemie-Centrum, Department of Chemistry and Pharmacy, Friedrich-Alexander-Universität Erlangen-Nürnberg

2. 91052 Erlangen

3. Germany

4. Department of Chemistry, University of New Orleans

5. New Orleans

6. USA

Abstract

Since quantum mechanical calculations do not typically lend themselves to chemical interpretation, analyses of bonding interactions depend largely upon models (the octet rule, resonance theory, charge transfer, etc.). This sometimes leads to a blurring of the distinction between mathematical modelling and physical reality.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP06786D

Reference102 articles.

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2. When Do Interacting Atoms Form a Chemical Bond? Spectroscopic Measurements and Theoretical Analyses of Dideuteriophenanthrene

3. Bond Paths Are Not Chemical Bonds

4. Quantisierung als Eigenwertproblem

5. The density in density functional theory

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