Heavy ligand atom induced large magnetic anisotropy in Mn(ii) complexes

Large Magnetic Anisotropy in Linear CoIIComplexes - Ab Initio Investigation of the Roles of Ligand Field, Structural Distortion, and Conformational Dynamics

(2017) Sabyasachi Roy Chowdhury et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Understanding the Magnetic Anisotropy toward Single-Ion Magnets

(2016) Yin-Shan Meng et al.   ACCOUNTS OF CHEMICAL RESEARCH

Determination and prediction of the magnetic anisotropy of Mn ions

(2016) Carole Duboc   CHEMICAL SOCIETY REVIEWS

Magnetic anisotropy in two- to eight-coordinated transition–metal complexes: Recent developments in molecular magnetism

(2016) Arun Kumar Bar et al.   COORDINATION CHEMISTRY REVIEWS

Single ion magnets based on lanthanoid polyoxomolybdate complexes

(2016) José J. Baldoví et al.   DALTON TRANSACTIONS

The Role of Spin–Orbit Coupling in the Double-Ionization Photoelectron Spectra of XCN2+ (X = Cl, Br, and I)

(2016) Soumitra Manna et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Two-Coordinate Co(II) Imido Complexes as Outstanding Single-Molecule Magnets

(2016) Xiao-Nan Yao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A low spin manganese(iv) nitride single molecule magnet

(2016) Mei Ding et al.   Chemical Science

A four-coordinate cobalt(II) single-ion magnet with coercivity and a very high energy barrier

(2016) Yvonne Rechkemmer et al.   Nature Communications

Deciphering the origin of giant magnetic anisotropy and fast quantum tunnelling in Rhenium(IV) single-molecule magnets

(2016) Saurabh Kumar Singh et al.   Nature Communications

Field-induced slow magnetic relaxation of octahedrally coordinated mononuclear Fe(iii)-, Co(ii)-, and Mn(iii)-containing polyoxometalates

(2015) Rinta Sato et al.   CHEMICAL COMMUNICATIONS

Large magnetic anisotropy in mononuclear metal complexes

(2015) Silvia Gómez-Coca et al.   COORDINATION CHEMISTRY REVIEWS

Design Criteria for High-Temperature Single-Molecule Magnets

(2015) Nicholas F. Chilton   INORGANIC CHEMISTRY

Design of Single-Molecule Magnets: Insufficiency of the Anisotropy Barrier as the Sole Criterion

(2015) Kasper S. Pedersen et al.   INORGANIC CHEMISTRY

Molcas8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

(2015) Francesco Aquilante et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Two-Coordinate Iron(I) Complex [Fe{N(SiMe3)2}2]−: Synthesis, Properties, and Redox Activity

(2014) C. Gunnar Werncke et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A bis(amido) ligand set that supports two-coordinate chromium in the +1, +2, and +3 oxidation states

(2014) Irene C. Cai et al.   CHEMICAL COMMUNICATIONS

Review of purely 4f and mixed-metal nd-4f single-molecule magnets containing only one lanthanide ion

(2014) Humphrey L.C. Feltham et al.   COORDINATION CHEMISTRY REVIEWS

Heavy Atom Effect on Magnetic Anisotropy of Matrix-Isolated Monobromine Substituted Septet Trinitrene

(2014) Eugenii Ya. Misochko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Equatorially Coordinated Lanthanide Single Ion Magnets

(2014) Peng Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes

(2014) Renaud Ruamps et al.   Chemical Science

Mössbauer Spectroscopy as a Probe of Magnetization Dynamics in the Linear Iron(I) and Iron(II) Complexes [Fe(C(SiMe3)3)2]1–/0

(2013) Joseph M. Zadrozny et al.   INORGANIC CHEMISTRY

Magnetic blocking in a linear iron(I) complex

(2013) Joseph M. Zadrozny et al.   Nature Chemistry

Stable Two-Coordinate, Open-Shell (d1–d9) Transition Metal Complexes

(2012) Philip P. Power   CHEMICAL REVIEWS

Ab initio calculation of anisotropic magnetic properties of complexes. I. Unique definition of pseudospin Hamiltonians and their derivation

(2012) L. F. Chibotaru et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

Magnetic anisotropy in the excited states of low symmetry lanthanide complexes

(2011) Liviu Ungur et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Cobalt(ii) single-molecule magnets

(2010) Mark Murrie   CHEMICAL SOCIETY REVIEWS

What is not required to make a single molecule magnet

(2010) Frank Neese et al.   FARADAY DISCUSSIONS

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

(2009) Matteo Mannini et al.   NATURE MATERIALS

Cholesky Decomposition-Based Multiconfiguration Second-Order Perturbation Theory (CD-CASPT2): Application to the Spin-State Energetics of CoIII(diiminato)(NPh)

(2008) Francesco Aquilante et al.   Journal of Chemical Theory and Computation

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

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

New Relativistic Atomic Natural Orbital Basis Sets for Lanthanide Atoms with Applications to the Ce Diatom and LuF3

(2008) Björn O. Roos et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structural and spectroscopic study of the excited electronic states of silver dihalides by quantum chemical methods

(2008) Sabyashachi Mishra   PHYSICAL CHEMISTRY CHEMICAL PHYSICS