A theoretical analysis of chemical bonding, vibronic coupling, and magnetic anisotropy in linear iron(ii) complexes with single-molecule magnet behavior

Simple Ligand-Field Theory of d4 and d6 Transition Metal Complexes with a C3 Symmetry Axis

(2012) Bruce R. McGarvey et al.   INORGANIC CHEMISTRY

Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes

(2012) Joseph M. Zadrozny et al.   Chemical Science

Theoretical Analysis of the Spin Hamiltonian Parameters in Co(II)S4Complexes, Using Density Functional Theory and Correlated ab initio Methods

(2011) Dimitrios Maganas et al.   INORGANIC CHEMISTRY

Slow Magnetic Relaxation at Zero Field in the Tetrahedral Complex [Co(SPh)4]2–

(2011) Joseph M. Zadrozny et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

What is not required to make a single molecule magnet

(2010) Frank Neese et al.   FARADAY DISCUSSIONS

Enhancing the Magnetic Anisotropy of Cyano-Ligated Chromium(II) and Chromium(III) Complexes via Heavy Halide Ligand Effects

(2010) Hemamala I. Karunadasa et al.   INORGANIC CHEMISTRY

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

(2010) Rémi Maurice et al.   JOURNAL OF CHEMICAL PHYSICS

Antisymmetric Magnetic Interactions in Oxo-Bridged Copper(II) Bimetallic Systems

(2010) R. Maurice et al.   Journal of Chemical Theory and Computation

Multireference Ab Initio Calculations ofgtensors for Trinuclear Copper Clusters in Multicopper Oxidases

(2010) Steven Vancoillie et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Slow Magnetic Relaxation in a High-Spin Iron(II) Complex

(2010) Danna E. Freedman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Slow Magnetic Relaxation in a Family of Trigonal Pyramidal Iron(II) Pyrrolide Complexes

(2010) W. Hill Harman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Insertion reactions of a two-coordinate iron diaryl with dioxygen and carbon monoxide

(2009) Chengbao Ni et al.   CHEMICAL COMMUNICATIONS

Magnetostructural Correlations in Tetrairon(III) Single-Molecule Magnets

(2009) Luisa Gregoli et al.   CHEMISTRY-A EUROPEAN JOURNAL

Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians

(2009) Rémi Maurice et al.   Journal of Chemical Theory and Computation

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

(2009) Rémi Maurice et al.   Journal of Chemical Theory and Computation

Direct Spectroscopic Observation of Large Quenching of First-Order Orbital Angular Momentum with Bending in Monomeric, Two-Coordinate Fe(II) Primary Amido Complexes and the Profound Magnetic Effects of the Absence of Jahn− and Renner−Teller Distortions in Rigorously Linear Coordination

(2009) W. Alexander Merrill et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Magnetic memory of a single-molecule quantum magnet wired to a gold surface

(2009) Matteo Mannini et al.   NATURE MATERIALS

Combined Ligand Field and Density Functional Theory Analysis of the Magnetic Anisotropy in Oligonuclear Complexes Based on FeIII−CN−MIIExchange-Coupled Pairs

(2008) Mihail Atanasov et al.   INORGANIC CHEMISTRY

Spin-based quantum computers made by chemistry: hows and whys

(2008) Philip C. E. Stamp et al.   JOURNAL OF MATERIALS CHEMISTRY

Intermolecular Dynamics in Crystalline Iron Octaethylporphyrin (FeOEP)

(2008) Valeriia Starovoitova et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Consequences of a Linear Two-Coordinate Geometry for the Orbital Magnetism and Jahn−Teller Distortion Behavior of the High Spin Iron(II) Complex Fe[N(t-Bu)2]2

(2008) William M. Reiff et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Strong magneto-chiral dichroism in enantiopure chiral ferromagnets

(2008) Cyrille Train et al.   NATURE MATERIALS

Magnetic compensation in the bimetallic oxalates

(2008) Peter Reis et al.   PHYSICAL REVIEW B

Magnetic anisotropy in the Fe(II)Fe(III) bimetallic oxalates

(2008) Randy S. Fishman et al.   PHYSICAL REVIEW B

Inverse Jahn-Teller Transition in Bimetallic Oxalates

(2008) Randy S. Fishman et al.   PHYSICAL REVIEW LETTERS