Predicting bond strength from a single Hartree–Fock ground state using the localized pair model
Author:
Affiliation:
1. Department of Chemistry
2. University of Prince Edward Island
3. Charlottetown, Canada
Abstract
We present electron pair distributions within chemical bonds and show that these characterize and quantify chemical bond strength.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP02669A
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