Toward an automated analysis of exchange pathways in spin-coupled systems

Communication: Proper use of broken-symmetry calculations in antiferromagnetic polyradicals

(2016) Jean-Paul Malrieu et al.   JOURNAL OF CHEMICAL PHYSICS

Toward Tailored All-Spin Molecular Devices

(2016) Maciej Bazarnik et al.   NANO LETTERS

Screening for high-spin metal organic frameworks (MOFs): density functional theory study on DUT-8(M1,M2) (with Mi = V,…,Cu)

(2016) Sebastian Schwalbe et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Microscopic Origin of Heisenberg and Non-Heisenberg Exchange Interactions in Ferromagnetic bcc Fe

(2016) Y. O. Kvashnin et al.   PHYSICAL REVIEW LETTERS

A Green’s-Function Approach to Exchange Spin Coupling As a New Tool for Quantum Chemistry

(2015) Torben Steenbock et al.   Journal of Chemical Theory and Computation

On-Surface Engineering of a Magnetic Organometallic Nanowire

(2015) Maider Ormaza et al.   NANO LETTERS

Calculation of exchange constants of the Heisenberg model in plane-wave-based methods using the Green's function approach

(2015) Dm. M. Korotin et al.   PHYSICAL REVIEW B

DFT magnetic characterization of a Fe4SMMs series: from isotropic exchange interactions to multi-spin zero field splitting

(2014) Alessandro Lunghi et al.   Journal of Materials Chemistry C

Influence of diamagnetic chelating ligand (L) on spin exchange coupling in heterospin chain complexes, [Cu(L)2NOpy2]n

(2013) Kensuke Murashima et al.   POLYHEDRON

Dynamic magnetic MOFs

(2012) Eugenio Coronado et al.   CHEMICAL SOCIETY REVIEWS

Naphthalene-Bridgedansa-Nickelocene: Synthesis, Structure, Electrochemical, and Magnetic Measurements

(2012) Sabrina Trtica et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Spin in density-functional theory

(2012) Christoph R. Jacob et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Two different coordination geometries in polynuclear manganese(II) complexes with bis(μ-phosphinato) bridges

(2012) Franz A. Mautner et al.   POLYHEDRON

Synthesis, characterization, mechanochromism and photochromism of [Fe(dm4bt)3][FeCl4]2 and [Fe(dm4bt)3][FeBr4]2, along with the investigation of steric influence on spin state

(2011) Anita Abedi et al.   DALTON TRANSACTIONS

Efficient water oxidation catalysts based on readily available iron coordination complexes

(2011) Julio Lloret Fillol et al.   Nature Chemistry

Theoretical magnetochemistry of dinuclear manganese complexes: broken symmetry density functional theory investigation on the influence of bridging motifs on structure and magnetism

(2010) Dimitrios A. Pantazis et al.   DALTON TRANSACTIONS

Stacked Nickelocenes: Synthesis, Structural Characterization, and Magnetic Properties

(2010) Sabrina Trtica et al.   INORGANIC CHEMISTRY

Effect of RKKY Interaction on the System of Two Magnetic Atoms on a Metal Surface at Finite Temperatures

(2010) Nghiem Thi Minh Hoa et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Strength and directionality of surface Ruderman–Kittel–Kasuya–Yosida interaction mapped on the atomic scale

(2010) Lihui Zhou et al.   Nature Physics

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

(2009) Matteo Mannini et al.   NATURE MATERIALS

Density functional theory for transition metals and transition metal chemistry

(2009) Christopher J. Cramer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Synthesis, crystal structure, and magnetic properties of K4Mn3(HPO4)4(H2PO4)2

(2009) Dawei Feng et al.   SOLID STATE SCIENCES

Two new tetranuclear copper(II) complexes: Structure and magnetic studies

(2008) M. Salah El Fallah et al.   INORGANICA CHIMICA ACTA