Estimation of the barrier to rotation of benzene in the (η6-C6H6)2Cr crystal via topological analysis of the electron density distribution function

Journal of Physical Chemistry A

Volumn 110, Issue 20, 2006, Pages 6545-6551

  Lyssenko, Konstantin A ^a   Korlyukov, Alexander A ^a   Golovanov, Denis G ^a   Ketkov, Sergey Yu ^b   Antipin, Mikhail Yu ^a  

^a A N NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS   (Russian Federation)

^b G A RAZUVAEV INSTITUTE OF ORGANOMETALLIC CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL LATTICES; CRYSTALS; DATA REDUCTION; ELECTRON DENSITY MEASUREMENT; ENTHALPY; SUBLIMATION; TOPOLOGY; X RAY DIFFRACTION ANALYSIS;

ELECTRON DENSITY DISTRIBUTION FUNCTIONS; INTERMOLECULAR INTERACTIONS; PLANE-WAVE DENSITY FUNCTIONAL THEORY;

BENZENE;

EID: 33745774390     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp057516v     Document Type: Article

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