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Exploring Systematic Discrepancies in DFT Calculations of Chlorine Nuclear Quadrupole Couplings. (2017)

First Author: Socha O

Attributed to: Collaborative Computational Project in NMR Crystallography funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jpca.7b02810

PubMed Identifier: 28475331

Publication URI: http://europepmc.org/abstract/MED/28475331

Type: Journal Article/Review

Volume: 121

Parent Publication: The journal of physical chemistry. A

Issue: 21

ISSN: 1089-5639