Dynamical nonplanarity of benzene. Evidences from the Car-Parrinello molecular dynamics study

Journal of Physical Chemistry Letters

Volumn 2, Issue 22, 2011, Pages 2881-2884

  Shishkin, Oleg V ^a,b   Dopieralski, Przemyslaw ^c   Omelchenko, Irina V ^a   Gorb, Leonid ^d,e   Latajka, Zdzislaw ^c   Leszczynski, Jerzy ^d  

^a INSTITUTE FOR SINGLE CRYSTALS   (Ukraine)

^b V N KARAZIN KHARKIV NATIONAL UNIVERSITY   (Ukraine)

^c UNIVERSITY OF WROC AW   (Poland)

^d JACKSON STATE UNIVERSITY   (United States)

^e INSTITUTE OF MOLECULAR BIOLOGY AND GENETICS   (Ukraine)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE MOLECULES; CAR-PARRINELLO MOLECULAR DYNAMICS; CAR-PARRINELLO MOLECULAR DYNAMICS SIMULATIONS; CONJUGATED SYSTEMS; GASPHASE; NONPLANAR CONFORMATION; PLANAR GEOMETRIES; TORSION ANGLE; TWIST-BOAT CONFORMATIONS;

BENZENE; BOATS; DYNAMICS; GASES; GEOMETRY; MOLECULAR DYNAMICS;

CONFORMATIONS;

EID: 81755167268     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz201327t     Document Type: Article

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