Distributed Multipoles from a Robust Basis-Space Implementation of the Iterated Stockholder Atoms Procedure
Author:
Affiliation:
1. School of Physics and Astronomy, Queen Mary University of London, London E1 4NS, United Kingdom
2. University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW, United Kingdom
Funder
Queen Mary, University of London
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct5008444
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4. Comparison of the Hirshfeld-I and iterated stockholder atoms in molecules schemes
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