Assessment of new meta and hybrid meta density functionals for predicting the geometry and binding energy of a challenging system: The dimer of H 2S and benzene

Journal of Physical Chemistry A

Volumn 112, Issue 26, 2008, Pages 6009-6016

  Leverentz, Hannah R ^a   Truhlar, Donald G ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

B3LYP FUNCTIONAL; DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL; HYDROGEN-BOND DONORS; NON-COVALENT INTERACTIONS; RE SEARCH GROUP;

BINDING ENERGY; BINDING SITES; FLOW INTERACTIONS; HYDROGEN; HYDROGEN BONDS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY;

EID: 53349099714     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8018364     Document Type: Article

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