On relation between prototropy and electron delocalization for neutral and redox adenine - DFT studies

Computational and Theoretical Chemistry

Volumn 1022, Issue , 2013, Pages 35-44

  Raczyńska, Ewa D ^a   Kolczyńska, Katarzyna ^a   Stepniewski, Tomasz M ^a   Kamińska, Beata ^a  

^a WARSAW UNIVERSITY OF LIFE SCIENCES   (Poland)

Author keywords

Adenine; DFT; Electron delocalization; HOMED G relation; Internal effects; Neutral and redox tautomeric forms

Indexed keywords

EID: 84883766955     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2013.08.009     Document Type: Article

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