Assessment of density functionals on intramolecular dispersion interaction in large normal alkanes

Chemical Physics Letters

Volumn 541, Issue , 2012, Pages 7-11

  Miao, Junjian ^a   Hua, Shugui ^a   Li, Shuhua ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CCSD; CONFORMATIONAL ENERGIES; DENSITY FUNCTIONALS; DISPERSION CORRECTION; DISPERSION INTERACTION; FUNCTIONALS; MP2 CALCULATIONS; NORMAL ALKANE; QUANTITATIVE DESCRIPTION;

ELECTROMAGNETIC DISPERSION;

PARAFFINS;

EID: 84862863413     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.05.067     Document Type: Article

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