An investigation of oxidation and reduction of C60, the excited states, energy gaps and stability using semi-empirical and ab initio methods

Journal of Molecular Structure: THEOCHEM

Volumn 538, Issue 1-3, 2001, Pages 211-223

  Santos, J D ^a   Longo, E ^b   Taft, C A ^c  

^a UNIVERSIDADE ESTADUAL DE GOIÁS   (Brazil)

^b FEDERAL UNIVERSITY OF SÃO CARLOS   (Brazil)

^c CENTRO BRASILEIRO DE PESQUISAS FÍSICAS   (Brazil)

Author keywords

Ab initio methods; Reduction of C60; |HOMO LUMO|

Indexed keywords

CARBON; CATION;

ARTICLE; ELECTRON TRANSPORT; ENERGY; IONIZATION; MOLECULAR INTERACTION; OXIDATION REDUCTION REACTION; REACTION ANALYSIS;

EID: 0035970885     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(00)00705-3     Document Type: Article

References (40)