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          Institute: MPI für bioanorganische Chemie     Collection: MPI für bioanorganische Chemie     Display Documents



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ID: 526977.0, MPI für bioanorganische Chemie / MPI für bioanorganische Chemie
Systematic theoretical study of the zero-field splitting in coordination complexes of Mn(III). Density functional theory versus multireference wave function approaches
Authors:Duboc, Carole; Ganyushin, Dmitry; Sivalingam, Kantharuban; Collomb, Marie-Noëlle; Neese, Frank
Language:English
Date of Publication (YYYY-MM-DD):2010
Title of Journal:Journal of Physical Chemistry A
Journal Abbrev.:J. Phys. Chem. A
Volume:114
Start Page:10750
End Page:10758
Review Status:Peer-review
Audience:Experts Only
External Publication Status:published
Document Type:Article
Communicated by:N. N.
Affiliations:MPI für bioanorganische Chemie
External Affiliations:[Duboc, Carole; Collomb, Marie-Noelle] Univ Grenoble 1, Inst Chim Mol Grenoble, Lab Chim Inorgan Redox, Dept Chim Mol,CNRS,FR 2607,UMR 5250, F-38041 Grenoble 9, France.; [Ganyushin, Dmitry; Sivalingam, Kantharuban; Neese, Frank] Univ Bonn, Inst Phys & Theoret Chem, D-53115 Bonn, Germany.
Identifiers:ISI:000282210000031 [ID No:1]
ISSN:1089-5639 [ID No:2]
DOI:10.1021/jp107823s
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