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Benchmark fragment-based (1)H, (13)C, (15)N and (17)O chemical shift predictions in molecular crystals. (2016)

First Author: Hartman JD

Attributed to: MATERIALS CHEMISTRY HIGH END COMPUTING CONSORTIUM funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1039/c6cp01831a

PubMed Identifier: 27431490

Publication URI: http://europepmc.org/abstract/MED/27431490

Type: Journal Article/Review

Volume: 18

Parent Publication: Physical chemistry chemical physics : PCCP

Issue: 31

ISSN: 1463-9076