Density functional theory studies on structure, spectra, and electronic properties of 3,7-dinitrodibenzobromolium cation and chloride

Journal of Physical Chemistry A

Volumn 108, Issue 37, 2004, Pages 7596-7602

  Zhang, Xin Huai ^a   Feng, Yuan Ping ^a   Chen, Yu Zong ^b  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^b Department of Computational Science ^*  (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

3,7-DINITRODIBENZOBROMOLIUM; HARMONIC FREQUENCIES; HETEROCYCLIC COMPOUNDS; INTRINSIC REACTION COORDINATE (IRC);

CARRIER CONCENTRATION; CORRELATION METHODS; ELECTRIC PROPERTIES; INFRARED SPECTROSCOPY; NITROGEN COMPOUNDS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; RAMAN SPECTROSCOPY; X RAY DIFFRACTION ANALYSIS;

CHLORIDE MINERALS;

EID: 4644237555     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp048158j     Document Type: Article

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