"Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of ..."

András Perczel et al. (2003)

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DOI: 10.1002/JCC.10267

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type: Journal Article

metadata version: 2020-04-01

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András Perczel, Ödön Farkas, Imre Jákli, Igor A. Topol, Imre G. Csizmadia:
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. J. Comput. Chem. 24(9): 1026-1042 (2003)

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