Alkane dimers interaction: A semi-local MGGA functional study

Chemical Physics Letters

Volumn 492, Issue 1-3, 2010, Pages 183-186

  Ferrighi, Lara ^a   Madsen, Georg K H ^b   Hammer, Bjørk ^a  

^a AARHUS UNIVERSITY   (Denmark)

^b RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL COSTS; DENSITY FUNCTIONALS; DFT METHOD; DISPERSION INTERACTION; INTERACTION ENERGIES; N-ALKANES; WAVE FUNCTION METHOD;

DIMERS; METHANE; PARAFFINS;

DENSITY FUNCTIONAL THEORY;

EID: 77953290118     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.04.034     Document Type: Article

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