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Journal of Molecular Structure: THEOCHEM

Volumn 532, Issue 1-3, 2000, Pages 245-256

Ab initio calculations for elucidation of the lanosterol 14α-Demethylation mechanism

(4) Cabrera Vivas, B M a,d Melendez F J a Martinez Aguilera L M R c Kubli Garfias, C b

a BENEMÉRITA UNIVERSIDAD AUTÓNOMA DE PUEBLA (Mexico)

b UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO (Mexico)

c INSTITUTO MEXICANO DEL PETRÓLEO (Mexico)

d NONE (Mexico)

Author keywords

14 Demethylation; Exergonic and endergonic reactions; Hardness and softness; HOMO; LUMO

Indexed keywords

CARBOXYLIC ACID; LANOSTEROL; NORLANOSTEROL; STEROL; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL BOND; DEMETHYLATION; ELECTRIC POTENTIAL; ENERGY TRANSFER; HARDNESS; REACTION ANALYSIS; STEREOCHEMISTRY; SYNTHESIS;

EID: 0034680975 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(00)00554-6 Document Type: Article

Times cited : (5)

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