A new way of studying chemical reactions: a hand-in-hand URVA and QTAIM approach
Author:
Affiliation:
1. Computational and Theoretical Chemistry Group (CATCO)
2. Department of Chemistry
3. Southern Methodist University
4. Dallas
5. USA
Abstract
The first combined quantum chemical energy-electron density description of bond breaking/forming events using URVA and QTAIM.
Funder
Division of Chemistry
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP01933B
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