Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory

Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory

Copyright 2003 Wiley Periodicals, Inc.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 24(2003), 9 vom: 15. Juli, Seite 1026-42
Auteur principal: Perczel, András (Auteur)
Autres auteurs: Farkas, Odön, Jákli, Imre, Topol, Igor A, Csizmadia, Imre G
Format: Article
Langue:English
Publié: 2003
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't Dipeptides Peptides Alanine OF5P57N2ZX