1997•Journal of Molecular Structure THEOCHEMRequires access

Peptide models XV. The effect of basis set size increase and electron correlation on selected minima of the ab initio 2D-Ramachandran map of For-Gly-NH2 and For-l-Ala-NH2

G. Endrédi, András Perczel, Ödön Farkas, Michael A. McAllister, Gábor I. Csonka, J. Ladik, Imre G. Csizmadia

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Key concepts: Basis set, Conformational isomerism, Ab initio, Electronic correlation, Ramachandran plot, Maxima and minima, Basis (linear algebra), Computational chemistry

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Peptide models XV. The effect of basis set size increase and electron correlation on selected minima of the ab initio 2D-Ramachandran map of For-Gly-NH2 and For-l-Ala-NH2 — Research Paper | ScholarLens