Density functional theory study of the conformational space of phenyl benzoate, a common fragment in many mesogenic molecules

Journal of Physical Chemistry A

Volumn 109, Issue 28, 2005, Pages 6290-6293

  Cinacchi, Giorgio ^a   Prampolini, Giacomo ^a  

^a UNIVERSITY OF PISA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTER SIMULATION; CONFORMATIONS; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; ROTATION;

DIPOLE MOMENT; MESOGENIC MOLECULES; MOLECULAR GEOMETRIES; PHENYL BENZOATE;

AROMATIC COMPOUNDS;

EID: 23144440527     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp050102h     Document Type: Article

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