Accurate prediction of proton chemical shifts. II: Peptide analogues

Journal of Computational Chemistry

Volumn 23, Issue 4, 2002, Pages 492-497

  Wang, Bing ^a   Hinton, James F ^a   Pulay, Peter ^a  

^a UNIVERSITY OF ARKANSAS   (United States)

Author keywords

Ab initio calculations; Cyclic amides; Density functional theory; Hartree Fock theory; Proton chemical shifts

Indexed keywords

AMIDE; AMINO ACID; PEPTIDE; PROTON; SOLVENT;

ARTICLE; CHEMISTRY; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE;

AMIDES; AMINO ACIDS, CYCLIC; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PEPTIDES; PROTONS; SOLVENTS;

EID: 0036489114     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10044     Document Type: Article

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