Exploration of C 6H 6 potential energy surface: A computational effort to unravel the relative stabilities and synthetic feasibility of new benzene isomers

Journal of Physical Chemistry A

Volumn 108, Issue 51, 2004, Pages 11433-11448

  Dinadayalane, T C ^a,b   Priyakumar, U Deva ^a,c   Sastry, G Narahari ^a  

^a INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

^b JACKSON STATE UNIVERSITY   (United States)

^c UNIVERSITY OF MARYLAND   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACYCLIC ISOMERS; POTENTIAL ENERGY SURFACES; STEREOISOMERS; TRIPLE BONDS;

COMPUTATIONAL METHODS; CORRELATION METHODS; HARDNESS; ISOMERS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; TOPOLOGY;

BENZENE;

EID: 11444261415     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0467696     Document Type: Article

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121. 4 unit.