Journal article
Nine questions on energy decomposition analysis
Abstract
The paper collects the answers of the authors to the following questions: Is the lack of precision in the definition of many chemical concepts one of the reasons for the coexistence of many partition schemes? Does the adoption of a given partition scheme imply a set of more precise definitions of the underlying chemical concepts? How can one use the results of a partition scheme to improve the clarity of definitions of concepts? Are partition …
Authors
Andrés J; Ayers PW; Boto RA; Carbó‐Dorca R; Chermette H; Cioslowski J; Contreras‐García J; Cooper DL; Frenking G; Gatti C
Journal
Journal of Computational Chemistry, Vol. 40, No. 26, pp. 2248–2283
Publisher
Wiley
Publication Date
October 5, 2019
DOI
10.1002/jcc.26003
ISSN
0192-8651