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Journal of Molecular Structure: THEOCHEM

Volumn 459, Issue 1-3, 1999, Pages 201-214

Alternative algorithms for optimizing an ellipsoidal cavity in self- consistent reaction field calculations. Example of an organometallic complex

(4) Visentin, Thierry a Dedieu, Alain a Kochanski, Elise a Padel, Lilyane a

a UNIVERSITÉ DE STRASBOURG (France)

Author keywords

Cavity shape; Organometallic solutes; PCM and multipolar treatments; SCRF; Solvent effects

Indexed keywords

ORGANOMETALLIC COMPOUND;

ARTICLE; CHEMICAL REACTION; DIELECTRIC CONSTANT; ELECTRICITY; GEOMETRY; MOLECULAR MODEL; SOLVATION;

EID: 84962449919 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(98)00268-1 Document Type: Article

Times cited : (6)

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