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Journal of Molecular Structure: THEOCHEM

Volumn 542, Issue , 2001, Pages 1-6

A new model for the theoretical tautomeric constant (KT) calculation of 2-, 3- and 4-substituted pyridines

(3) Ramirez Galicia G a Perez Caballero G b Rubio, M a

a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO (Mexico)

b UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO (Mexico)

Author keywords

Boltzmann distribution law; HF and MP2 ab initio calculations; Semiempirical method; Solvent effect; Tautomeric equilibria

Indexed keywords

PYRIDINE DERIVATIVE; SOLVENT; WATER;

ARTICLE; CALCULATION; EQUILIBRIUM CONSTANT; GAS; MATHEMATICAL MODEL; TECHNIQUE;

EID: 0035877378 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(00)00649-7 Document Type: Article

Times cited : (7)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.