Structural features of small benzene clusters (C6H6)n (n ≤ 30) As investigated with the all-atom OPLS potential

Journal of Physical Chemistry A

Volumn 116, Issue 41, 2012, Pages 10172-10181

  Takeuchi, Hiroshi ^a  

^a HOKKAIDO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPIC INTERACTION; AROMATIC CLUSTERS; BENZENE MOLECULES; BENZENE RING; GLOBAL MINIMA; GROWTH SEQUENCES; LIQUID BENZENE; LOCAL STRUCTURE; NEIGHBORING MOLECULES; OPTIMIZED PARAMETERS FOR LIQUID SIMULATIONS; ROTATIONAL CONSTANTS; SADDLE POINT; STRUCTURAL FEATURE; STRUCTURAL SIMILARITY; SUPERSONIC EXPANSIONS;

ANISOTROPY; GEOMETRY; HEURISTIC METHODS; MOLECULES;

BENZENE;

BENZENE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MOLECULAR DYNAMICS;

BENZENE; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE;

EID: 84867628519     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp305965r     Document Type: Article

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