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Coordination Chemistry Reviews

Volumn 226, Issue 1-2, 2002, Pages 17-38

Toward understanding nephelauxetism: Interelectronic repulsion in gaseous dq ions computed by Kohn-Sham DFT

(2) Anthon, Christian a Schäffer, Claus E a

a UNIVERSITY OF COPENHAGEN (Denmark)

Author keywords

Density functional theory; Excited states; Interelectronic repulsion; Ligand field theory; Nephelauxetic phenomenon; Real orbitals

Indexed keywords

LIGAND;

CALCULATION; CONFERENCE PAPER; DENSITY; ELECTRON; ELECTRONICS; ENERGY; OXIDATION;

EID: 0036195972 PISSN: 00108545 EISSN: None Source Type: Journal
DOI: 10.1016/S0010-8545(01)00449-0 Document Type: Review

Times cited : (18)

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