Systematic Theoretical Study of the Zero-Field Splitting in Coordination Complexes of Mn(III). Density Functional Theory versus Multireference Wave Function Approaches-Reference-Cited by-同舟云学术

Systematic Theoretical Study of the Zero-Field Splitting in Coordination Complexes of Mn(III). Density Functional Theory versus Multireference Wave Function Approaches

Published:2010-09-09 Issue:39 Volume:114 Page:10750-10758
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Duboc Carole¹,Ganyushin Dmitry¹,Sivalingam Kantharuban¹,Collomb Marie-Noëlle¹,Neese Frank¹

Affiliation:

1. Département de Chimie Moléculaire, UMR-5250, Laboratoire de Chimie Inorganique Redox, Institut de Chimie Moléculaire de Grenoble FR- CNRS-2607, Université Joseph Fourier Grenoble 1/CNRS, BP-53, 38041 Grenoble Cedex 9, France, Institut für Physikalische und Theoretische Chemie, University of Bonn, Wegelerstrasse 12, 53115 Bonn, Germany, and Max-Planck-Institut für Bioanorganische Chemie, Stiftstrasse 34-36, D-45470 Mülheim an der Ruhr, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp107823s

Reference90 articles.

1. Zero-field splitting in metal complexes

2. Magnetic bistability in a metal-ion cluster

3. Quantum dynamics in molecular nanomagnets

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