Gauge invariant atomic orbital-density functional theory prediction of accurate gas phase 1H and 13C NMR chemical shifts

Concepts in Magnetic Resonance Part A: Bridging Education and Research

Volumn 38 A, Issue 6, 2011, Pages 269-279

  Ebrahimi, Hossein Pasha ^a   Shaghaghi, Hoora ^a   Tafazzoli, Mohsen ^a  

^a SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

13C chemical shift; 1H chemical shift; Empirical models; Factorial design; Gas phase NMR; Standard basis sets

Indexed keywords

EID: 82255164237     PISSN: 15466086     EISSN: 15525023     Source Type: Journal    
DOI: 10.1002/cmr.a.20227     Document Type: Article

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