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Volumn 612, Issue 2-3, 2002, Pages 277-286

Computational electrochemistry. Ab initio calculation of solvent effect in the multiple electroreduction of polypyridinic compounds

(6) Fontanesi, Claudio a Benassi, Rois a Giovanardi, Roberto a Marcaccio, Massimo b Paolucci, Francesco b Roffia, Sergio b

a UNIVERSITY OF MODENA AND REGGIO EMILIA (Italy)

b UNIVERSITY OF BOLOGNA (Italy)

Author keywords

Ab initio; Electron affinity; Polypyridines; SM5.42R; Solvation effect

Indexed keywords

1,10 PHENANTHROLINE; 2,2' BIPYRIDINE DERIVATIVE; LIGAND; PYRAZINE DERIVATIVE; PYRIDINE DERIVATIVE; QUINOLINE DERIVATIVE; SOLVENT;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; ELECTROCHEMISTRY; ELECTRON TRANSPORT; ENERGY; GEOMETRY; OXIDATION REDUCTION REACTION; QUANTUM CHEMISTRY;

EID: 0037125357 PISSN: 00222860 EISSN: None Source Type: Journal
DOI: 10.1016/S0022-2860(02)00098-4 Document Type: Article

Times cited : (24)

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