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Journal of Molecular Structure: THEOCHEM

Volumn 544, Issue 1-3, 2001, Pages 221-235

Ab initio simulation of physisorption: N2 on pregraphitic clusters

(2) Lushington, Gerald H a Chabalowski, Cary F a

a OHIO SUPERCOMPUTER CENTER (United States)

Author keywords

Ab initio calculations; Aromatic molecules; Nitrogen molecule; Physical adsorption

Indexed keywords

AROMATIC COMPOUND; NAPHTHALENE; NITROGEN; PYRENE;

ADSORPTION; ARTICLE; CHEMICAL BINDING; ENERGY TRANSFER; MOLECULAR INTERACTION; MOLECULAR MODEL; SIMULATION;

EID: 0035796865 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(01)00388-8 Document Type: Article

Times cited : (10)

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