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Journal of Molecular Structure: THEOCHEM

Volumn 433, Issue 1-3, 1998, Pages 203-216

The effect of small substituents on the properties of indole. An ab initio 6-31G* study

(3) Alagona, Giuliano a Ghio, Caterina a Monti, Susanna b

a CNR (Italy)

b Menarini Ricerche SpA (Italy)

Author keywords

6 31G* geometry; Aromaticity; Chemical shift; Electrostatic potential; Indole; Partial charges; Small substituents

Indexed keywords

EID: 0344293288 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(98)00026-8 Document Type: Article

Times cited : (16)

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