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Chemistry - A European Journal

Volumn 17, Issue 30, 2011, Pages 8424-8433

On the nature of actinide- and lanthanide-metal bonds in heterobimetallic compounds

(6) Vlaisavljevich, Bess a Mirõ, Pere a Cramer, Christopher J a Gagliardi, Laura a Infante, Ivan b Liddle, Stephen T c

a UNIVERSITY OF MINNESOTA (United States)

b DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC (Spain)

c UNIVERSITY OF NOTTINGHAM (United Kingdom)

Author keywords

actinides; density functional calculations; energy decomposition analysis; lanthanides; metal metal bonds

Indexed keywords

ACTINIDES; CHARGE TRANSFER; COMPLEXATION; ELECTRONIC STRUCTURE; HYDROGEN BONDS; LARGE SCALE SYSTEMS; METALLIC COMPOUNDS; PERTURBATION TECHNIQUES; QUANTUM CHEMISTRY; RARE EARTH ELEMENTS;

COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELD METHODS; DENSITY-FUNCTIONAL LEVEL; ENERGY DECOMPOSITION ANALYSIS; HETERO-BIMETALLIC COMPOUNDS; HETEROBIMETALLICS; METAL-METAL BONDS; QUANTUM-CHEMICAL METHODS; SECOND ORDER PERTURBATION THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 79960322456 PISSN: 09476539 EISSN: 15213765 Source Type: Journal
DOI: 10.1002/chem.201100774 Document Type: Article

Times cited : (116)

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