DFT Study on Nitration Mechanism of Benzene with Nitronium Ion

Journal of Physical Chemistry A

Volumn 107, Issue 51, 2003, Pages 11440-11444

  Chen, Litao ^a,b   Xiao, Heming ^a   Xiao, Jijun ^a   Gong, Xuedong ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b ZHEJIANG UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTRON ENERGY LEVELS; HEAVY IONS; INFRARED SPECTROSCOPY; ISOTOPES; NITRATION; PERMITTIVITY; PROBABILITY DENSITY FUNCTION; SOLVENTS; SPECIFIC HEAT; THERMODYNAMICS;

NITRATION MECHANISM; TRANSITION STATES;

BENZENE;

EID: 0347540876     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp030167p     Document Type: Article

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