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Volumn 22, Issue 14-17, 2003, Pages 2409-2414

Magnetic coupling in oxalato-bridged hetero-bimetallic compounds: An ab initio study

(4) Taratiel, David a Cabrero, Jesús a De Graaf, Coen a Caballol, Rosa a

Author keywords

Ab initio calculations; CASPT2; Difference dedicated CI; Hetero bimetallic complexes; Magnetic properties; Oxalato bridged complexes

Indexed keywords

AMINES; AMMONIA; CHROMIUM COMPOUNDS; COPPER COMPOUNDS; LIGANDS; NICKEL COMPOUNDS; PERTURBATION TECHNIQUES;

AB INITIO CALCULATIONS; AB INITIO STUDY; CASPT2; CR(SALEN); DIFFERENCE DEDICATED CI; HETERO BIMETALLIC COMPLEXES; HETERO-BIMETALLIC COMPOUNDS; OXALATO; OXALATO-BRIDGED COMPLEX; PERTURBATION THEORY;

MAGNETIC COUPLINGS;

CHROMIUM DERIVATIVE; COPPER COMPLEX; FERROMAGNETIC MATERIAL; LIGAND; METAL COMPLEX; N ACETYLACETONYLIDENE N (2 PYRIDYLETHYL)AMINATE; N,N' ETHYLENEBIS(SALICYLIDENEAMINATE); OXALIC ACID DERIVATIVE; SALICYLIC ACID DERIVATIVE; TRIS(2 AMINOETHYL)AMINE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; CONFERENCE PAPER; DIFFERENCE DEDICATED CONFIGURATION INTERACTION; GEOMETRY; MAGNETISM; MODEL; MULTICONFIGURATIONAL PERTURBATION THEORY;

EID: 0042371521 PISSN: 02775387 EISSN: None Source Type: Journal
DOI: 10.1016/S0277-5387(03)00223-7 Document Type: Conference Paper

Times cited : (14)

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