Theoretical study of 2-guanidinobenzimidazole. HF, MP2 and DFT calculations

Journal of Molecular Structure: THEOCHEM

Volumn 637, Issue , 2003, Pages 55-72

  Henandez Garcia R M ^a   Barba Behrens, N ^a   Salcedo, R ^a   Hojer G ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

2 Guanidinobenzimidazole; Ab initio; Benzimidazole derivative; Density functional theory

Indexed keywords

2 GUANIDINOBENZIMIDAZOLE; CATION; RADICAL;

AB INITIO CALCULATION; ARTICLE; ATOM; CALCULATION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; ENTHALPY; EXPERIMENT; GEOMETRY; IONIZATION; PROTON TRANSPORT; SURFACE CHARGE; THEORY;

EID: 10744226239     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00370-1     Document Type: Article

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