Density functional study of chromium oxide clusters: Structures, bonding, vibrations, and stability

Journal of Physical Chemistry B

Volumn 102, Issue 7, 1998, Pages 1126-1135

  Veliah, Sundar ^a   Xiang, Kai Hua ^a   Pandey, Ravindra ^a   Recio, J M ^a   Newsam, John M ^a,b  

^a MICHIGAN TECHNOLOGICAL UNIVERSITY   (United States)

^b ACCELRYS INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMIZATION; CHARGE TRANSFER; CHEMICAL BONDS; COMPUTATIONAL METHODS; ELECTRON ENERGY LEVELS; ENERGY GAP; INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; POLARIZATION;

DENSITY FUNCTIONAL THEORY; HARMONIC VIBRATIONAL FREQUENCY;

CHROMIUM COMPOUNDS;

EID: 0031997514     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972546m     Document Type: Article

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