New way of describing static and dynamic deformations of the Jahn-Teller type in ring molecules

Journal of Physical Chemistry A

Volumn 115, Issue 31, 2011, Pages 8731-8742

  Zou, Wenli ^a   Izotov, Dmitry ^a   Cremer, Dieter ^a  

^a SOUTHERN METHODIST UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CCSD; COUPLED CLUSTERS; COUPLED-CLUSTER THEORY; CYCLOBUTADIENES; CYCLOPROPYL; DEFORMATION AMPLITUDE; DEFORMATION PARAMETER; DEFORMATION VECTORS; DIANIONS; ELECTRONIC EFFECTS; JAHN TELLER DISTORTIONS; JAHN-TELLER; JAHN-TELLER SYSTEM; LINEAR COMBINATIONS; MULTI REFERENCE; PHASE ANGLES; PLANAR RING; PSEUDOROTATION; RADICAL CATIONS; REGULAR POLYGON; RING COMPOUNDS; RING DEFORMATION; RING MOLECULES; STATIC AND DYNAMIC; VIBRATIONAL MODES;

BUTADIENE; CLUSTER ANALYSIS; MOLECULES; NUMERICAL METHODS;

DEFORMATION;

EID: 79961243753     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2041907     Document Type: Article

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