Implementation and validation of DFT-D for molecular vibrations and dynamics: The benzene dimer as a case study

Chemical Physics Letters

Volumn 452, Issue 4-6, 2008, Pages 333-339

  Pavone, Michele ^a   Rega, Nadia ^a   Barone, Vincenzo ^a  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; DIMERS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; POTENTIAL ENERGY SURFACES;

BENZENE DIMERS; DYNAMICAL ASPECTS;

BENZENE;

EID: 38949185693     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.12.075     Document Type: Article

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