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Chemical Physics Letters

Volumn 503, Issue 1-3, 2011, Pages 39-44

Assessment of DFT functionals for the calculation of interaction-induced electric properties of molecular complexes

(3) Zawada, A a Kaczmarek Kedziera A b Bartkowiak, W a

a WROCLAW UNIVERSITY OF TECHNOLOGY (Poland)

b NICOLAUS COPERNICUS UNIVERSITY (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SET SUPERPOSITION ERRORS; BASIS SETS; CCSD; COUNTERPOISE CORRECTION; DENSITY FUNCTIONALS; DFT METHOD; FUNCTIONALS; H-BONDED; INDUCED DIPOLE MOMENTS; MODEL COMPLEXES; MOLECULAR COMPLEXES; POLARIZABILITIES;

COMPLEXATION; HYDROGEN BONDS;

ELECTRIC PROPERTIES;

EID: 79751538214 PISSN: 00092614 EISSN: None Source Type: Journal
DOI: 10.1016/j.cplett.2011.01.012 Document Type: Article

Times cited : (15)

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