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Journal of Molecular Structure: THEOCHEM

Volumn 580, Issue 1-3, 2002, Pages 193-200

Theoretical study of the interaction energy profile of cobalt phthalocyanine and 2-mercaptoethanol. Effect of the graphite on the global reactivity

(4) Cárdenas Jirón, Gloria I a Caro, Claudia A a Venegas Yazigi, Diego b Zagal, José H a

a UNIVERSIDAD DE SANTIAGO DE CHILE (Chile)

b UNIVERSIDAD TECNOLÓGICA METROPOLITANA (Chile)

Author keywords

2 Mercaptoethanol; Cobalt phthalocyanine; Fukui; Graphite; Hardness; Interaction energy profile; Principle of maximum hardness

Indexed keywords

COBALT DERIVATIVE; GRAPHITE; MERCAPTOETHANOL; PHTHALOCYANINE COBALT; UNCLASSIFIED DRUG;

CALCULATION; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; CONFERENCE PAPER; ENERGY; HARDNESS; THEORETICAL STUDY;

EID: 0037192661 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(01)00613-3 Document Type: Conference Paper

Times cited : (21)

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