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Nonvariational Orbital Optimization Techniques for the AP1roG Wave Function.
Boguslawski, Katharina; Tecmer, Pawel; Bultinck, Patrick; De Baerdemacker, Stijn; Van Neck, Dimitri; Ayers, Paul W.
Afiliação
  • Boguslawski K; Department of Chemistry and Chemical Biology, McMaster University , 1280 Main Street West, Hamilton, L8S 4M1 Ontario, Canada.
  • Tecmer P; Department of Chemistry and Chemical Biology, McMaster University , 1280 Main Street West, Hamilton, L8S 4M1 Ontario, Canada.
  • Bultinck P; Department of Inorganic and Physical Chemistry, Ghent University , Krijgslaan 281 (S3), 9000 Gent, East Flanders, Belgium.
  • De Baerdemacker S; Center for Molecular Modelling, Ghent University , Technologiepark 903, 9052 Gent, East Flanders, Belgium.
  • Van Neck D; Center for Molecular Modelling, Ghent University , Technologiepark 903, 9052 Gent, East Flanders, Belgium.
  • Ayers PW; Department of Chemistry and Chemical Biology, McMaster University , 1280 Main Street West, Hamilton, L8S 4M1 Ontario, Canada.
J Chem Theory Comput ; 10(11): 4873-82, 2014 Nov 11.
Article em En | MEDLINE | ID: mdl-26584374
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2014 Tipo de documento: Article
Texto completo
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PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2014 Tipo de documento: Article