Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with pople split-valence basis sets

  1. Echenique, P.
  2. Alonso, J.L.
Revue:
Journal of Computational Chemistry

ISSN: 0192-8651 1096-987X

Année de publication: 2008

Volumen: 29

Número: 9

Pages: 1408-1422

Type: Article

DOI: 10.1002/JCC.20900 GOOGLE SCHOLAR

Objectifs de Développement Durable