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Journal of Chemical Physics

Volumn 116, Issue 18, 2002, Pages 7806-7813

Improving "difficult" reaction barriers with self-interaction corrected density functional theory

(2) Patchkovskii, Serguei a Ziegler, Tom b

a NATIONAL RESEARCH COUNCIL CANADA (Canada)

b UNIVERSITY OF CALGARY (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; APPROXIMATION THEORY; CARRIER CONCENTRATION; CORRELATION METHODS; DISSOCIATION; GRADIENT METHODS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTION THEORY (DFT); REACTION BARRIERS;

MOLECULAR DYNAMICS;

EID: 0037042114 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1468640 Document Type: Article

Times cited : (153)

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