Open AccessCommunications: Is quantum chemical treatment of biopolymers accurate? Intramolecular basis set superposition error (BSSE)
Author(s) -
Roman M. Balabin
Publication year - 2010
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.3442466
Subject(s) - intramolecular force , counterpoise , basis set , basis (linear algebra) , superposition principle , chemistry , computational chemistry , density functional theory , quantum , quantum chemistry , molecule , statistical physics , thermodynamics , mathematics , physics , quantum mechanics , stereochemistry , geometry , organic chemistry , supramolecular chemistry
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