A correlated ab initio study of Karplus relations for model peptides

Magnetic Resonance in Chemistry

Volumn 39, Issue SPEC. ISS., 2001, Pages

  Perera, S Ajith ^a   Bartlett, Rodney J ^a  

^a UNIVERSITY OF FLORIDA   (United States)

Author keywords

Ab initio; Hydrogen bonds; Karplus relations; N methylacetamide; NMR; Peptides

Indexed keywords

DIHEDRAL ANGLE; EQUATIONS OF MOTION; HYDROGEN BONDS; NUMERICAL METHODS;

AB INITIO; AB INITIO STUDY; BOND LENGTHS AND ANGLES; CCSD; EQUATION OF MOTION COUPLED CLUSTERS; KARPLUS RELATION; MODEL PEPTIDES; N-METHYLACETAMIDE; PROTON NMR; SPIN-SPIN COUPLING CONSTANTS;

PEPTIDES;

EID: 0035629958     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/mrc.911     Document Type: Article

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