4.7 Article

Magnetostructural relations from a combined ab initio and ligand field analysis for the nonintuitive zero-field splitting in Mn(III) complexes

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Rigorous Extraction of the Anisotropic Multispin Hamiltonian in Bimetallic Complexes from the Exact Electronic Hamiltonian

Remi Maurice et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)

Review Chemistry, Multidisciplinary

How to Build Molecules with Large Magnetic Anisotropy

Jordi Cirera et al.

CHEMISTRY-A EUROPEAN JOURNAL (2009)

Article Chemistry, Inorganic & Nuclear

A Multiconfigurational ab Initio Study of the Zero-Field Splitting in the Di- and Trivalent Hexaquo-Chromium Complexes

Dimitrios G. Liakos et al.

INORGANIC CHEMISTRY (2009)

Article Chemistry, Physical

Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians

Remi Maurice et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)

Article Chemistry, Multidisciplinary

Can large magnetic anisotropy and high spin really coexist?

Eliseo Ruiz et al.

CHEMICAL COMMUNICATIONS (2008)

Article Chemistry, Physical

Magnetic exchange interaction in triply bridged dinickel(II) complexes

Claudia Loose et al.

CHEMICAL PHYSICS LETTERS (2008)

Article Materials Science, Multidisciplinary

Toroidal magnetic states in molecular wheels: Interplay between isotropic exchange interactions and local magnetic anisotropy

Alessandro Soncini et al.

PHYSICAL REVIEW B (2008)

Article Chemistry, Inorganic & Nuclear

A dinuclear cobalt(II) complex of calix[8]arenes exibiting strong magnetic anisotropy

Sarah Petit et al.

DALTON TRANSACTIONS (2007)

Article Chemistry, Physical

Assessing the zero-field splitting in magnetic molecules by wave function-based methods

Coen de Graaf et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2006)

Article Chemistry, Multidisciplinary

Toward the control of the magnetic anisotropy of FeII cubes:: A DFT study

Jordi Ribas-Arino et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)

Review Chemistry, Physical

First-principles calculations of zero-field splitting parameters

Dmitry Ganyushin et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

New relativistic ANO basis sets for transition metal atoms

BO Roos et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2005)

Article Chemistry, Physical

Relativistic quantum chemistry:: the multiconfigurational approach

BO Roos et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)

Review Chemistry, Inorganic & Nuclear

Zero-field splitting in metal complexes

R Boca

COORDINATION CHEMISTRY REVIEWS (2004)

Article Materials Science, Multidisciplinary

MOLCAS:: a program package for computational chemistry

G Karlström et al.

COMPUTATIONAL MATERIALS SCIENCE (2003)

Article Chemistry, Inorganic & Nuclear

Density functional studies of single molecule magnets

J Kortus et al.

POLYHEDRON (2003)

Article Chemistry, Physical

The restricted active space (RAS) state interaction approach with spin-orbit coupling

PÅ Malmqvist et al.

CHEMICAL PHYSICS LETTERS (2002)