Planar pentacoordinate carbon in CAI5+: A global minimum

Journal of the American Chemical Society

Volumn 130, Issue 31, 2008, Pages 10394-10400

  Pei, Yong ^a   An, Wei ^a   Ito, Keigo ^b   Schleyer, Paul Von Ragué ^b   Xiao, Cheng Zeng ^a  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

^b UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS; QUANTUM CHEMISTRY;

AB INITIO COMPUTATIONS; QUANTUM MOLECULAR DYNAMICS;

DYNAMICS;

CARBON;

AB INITIO CALCULATION; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; ISOMER; QUANTUM MECHANICS; ROOM TEMPERATURE; SIMULATION;

EID: 48749095253     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja803365x     Document Type: Article

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