Fragment-based (13)C nuclear magnetic resonance chemical shift predictions in molecular crystals: An alternative to planewave methods.

Hartman, Joshua D; Monaco, Stephen; Schatschneider, Bohdan; Beran, Gregory J O

Hartman, Joshua D; Monaco, Stephen; Schatschneider, Bohdan; Beran, Gregory J O.

Afiliação

Hartman JD; Department of Chemistry, University of California, Riverside, California 92521, USA.
Monaco S; The Pennsylvania State University, The Eberly Campus, 2201 University Dr, Lemont Furnace, Pennsylvania 15456, USA.
Schatschneider B; The Pennsylvania State University, The Eberly Campus, 2201 University Dr, Lemont Furnace, Pennsylvania 15456, USA.
Beran GJ; Department of Chemistry, University of California, Riverside, California 92521, USA.

J Chem Phys ; 143(10): 102809, 2015 Sep 14.

Article em En | MEDLINE | ID: mdl-26374002

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2015 Tipo de documento: Article

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