Intermolecular potentials of the silane dimer calculated with hartree - Fock theory, møller - Plesset perturbation theory, and density functional theory

Journal of Physical Chemistry A

Volumn 111, Issue 46, 2007, Pages 11922-11929

  Pai, Ching Cheng ^a   Li, Arvin Huang Te ^a   Chao, Sheng D ^a  

^a NATIONAL TAIWAN UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; SILANES;

BASIS SET SUPERPOSITION ERROR (BSSE); GAUSSIAN FUNCTIONS; HARTREE - FOCK THEORY; MØLLER - PLESSET PERTURBATION THEORY;

DIMERS;

SILANE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DIMERIZATION; MATHEMATICAL COMPUTING;

DIMERIZATION; MATHEMATICAL COMPUTING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SILANES;

EID: 37049009908     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0752973     Document Type: Article

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