Energetics of photoconversion of norbornadiene to quadricyclane: Effects of directly attached substituents via ab initio and DFT

Journal of Molecular Structure: THEOCHEM

Volumn 763, Issue 1-3, 2006, Pages 13-19

  Kassaee, M Z ^a   Vessally, E ^b   Arshadi, S ^c  

^a TARBIAT MODARES UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c PAYAME NOOR UNIVERSITY   (Iran)

Author keywords

Ab initio; B3LYP; DFT; Electron donating; Electron withdrawing; Energy storage; Norbornadiene; Photochemical energy; Quadricyclane; Solar energy; Substituents

Indexed keywords

EID: 33646166131     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.01.010     Document Type: Article

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