DFT interpretation of 1,3-dipolar cycloaddition reaction of C,N-diphenyl nitrone to methyl crotonate in terms of reactivity indices, interaction energy and activation parameters

Computational and Theoretical Chemistry

Volumn 967, Issue 1, 2011, Pages 50-58

  Acharjee, Nivedita ^a,b   Banerji, Avijit ^a  

^a UNIVERSITY OF CALCUTTA   (India)

^b JALPAIGURI GOVERNMENT ENGINEERING COLLEGE   (India)

Author keywords

Activation energy; Chemical potential; Electrophilicity index; Interaction energy; Transition states

Indexed keywords

EID: 84555177516     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.03.040     Document Type: Article

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