Magnetic Properties of High-Nuclearity Fex-oxo (x = 7, 22, 24) Clusters Analyzed by a Multipronged Experimental, Computational, and Magnetostructural Correlation Approach

Bioinspired Di-Fe Complexes: Correlating Structure and Proton Transfer over Four Oxidation States

(2022) Justin L. Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Iron‐Catalyzed Water Oxidation: O–O Bond Formation via Intramolecular Oxo–Oxo Interaction

(2021) Hong‐Tao Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Iron(III)–Oxo Cluster Chemistry with Dimethylarsinate Ligands: Structures, Magnetic Properties, and Computational Studies

(2020) Kenneth Hong Kit Lee et al.   INORGANIC CHEMISTRY

Single-Molecule-Magnet FeII4FeIII2 and Antiferromagnetic FeIII4 Coordination Clusters

(2019) Suman K. Barman et al.   INORGANIC CHEMISTRY

An [FeIII 34 ] Molecular Metal Oxide

(2019) Alice E. Dearle et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Molecular spin frustration in mixed-chelate Fe5 and Fe6 oxo clusters with high ground state spin values

(2019) Alok P. Singh et al.   POLYHEDRON

New hexanuclear FeIII clusters with the gem-diol hydrated form of di(2-pyridyl)ketone and carboxylato ligands: Crystal structures and magnetic properties

(2019) Livia Arizaga et al.   POLYHEDRON

Accuracy of density functional theory methods for the calculation of magnetic exchange couplings in binuclear iron(III) complexes

(2019) Rajendra P. Joshi et al.   POLYHEDRON

Tuning the Condensation Degree of {FeIIIn} Oxo Clusters via Ligand Metathesis, Temperature, and Solvents

(2018) Olga Botezat et al.   INORGANIC CHEMISTRY

Directed synthesis and magnetic properties of a hexanuclear ferric cluster

(2018) Jeff Lengyel et al.   POLYHEDRON

Structure, magnetic properties and thermal sublimation of fluorinated Fe 4 Single-Molecule Magnets

(2017) Luca Rigamonti et al.   POLYHEDRON

Magnetostructural Correlation for High-Nuclearity Iron(III)/Oxo Complexes and Application to Fe5, Fe6, and Fe8 Clusters

(2016) Kylie J. Mitchell et al.   INORGANIC CHEMISTRY

[Fe19] “Super-Lindqvist” Aggregate and Large 3D Interpenetrating Coordination Polymer from Solvothermal Reactions of [Fe2(OtBu)6] with Ethanol

(2015) Olaf Nachtigall et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Undecametallic and hexadecametallic ferric oxo–hydroxo/ethoxo pivalate clusters

(2015) Svetlana G. Baca et al.   DALTON TRANSACTIONS

Crystal structure refinement withSHELXL

(2015) George M. Sheldrick   Acta Crystallographica Section C-Structural Chemistry

The solvent effect in an axially symmetric FeIII4 single-molecule magnet

(2014) Yuan-Yuan Zhu et al.   CHEMICAL COMMUNICATIONS

A family of enantiopure FeIII4 single molecule magnets: fine tuning of energy barrier by remote substituent

(2014) Yuan-Yuan Zhu et al.   DALTON TRANSACTIONS

PHI: A powerful new program for the analysis of anisotropic monomeric and exchange-coupled polynucleard- andf-block complexes

(2013) Nicholas F. Chilton et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Diiron(III) complexes of tridentate 3N ligands as functional models for methane monooxygenases: Effect of the capping ligand on hydroxylation of alkanes

(2013) Muniyandi Sankaralingam et al.   POLYHEDRON

Magnetic Exchange Couplings from Semilocal Functionals Evaluated Nonself-Consistently on Hybrid Densities: Insights on Relative Importance of Exchange, Correlation, and Delocalization

(2012) Jordan J. Phillips et al.   Journal of Chemical Theory and Computation

Magnetic Properties of Two New Fe4Single-Molecule Magnets in the Solid State and in Frozen Solution

(2010) Christoph Schlegel et al.   CHEMISTRY-A EUROPEAN JOURNAL

Diamagnetic Corrections and Pascal's Constants

(2009) Gordon A. Bain et al.   JOURNAL OF CHEMICAL EDUCATION

Broken Symmetry Approach to Density Functional Calculation of Magnetic Anisotropy or Zero Field Splittings for Multinuclear Complexes with Antiferromagnetic Coupling†

(2009) Christoph van Wüllen   JOURNAL OF PHYSICAL CHEMISTRY A

Calculation of Exchange Coupling Constants of Transition Metal Complexes with DFT

(2009) Peter Comba et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Protein-Sized Chiral Fe168Cages with NbO-Type Topology

(2009) Zhi-Ming Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Performance of the M06 family of exchange-correlation functionals for predicting magnetic coupling in organic and inorganic molecules

(2008) Rosendo Valero et al.   JOURNAL OF CHEMICAL PHYSICS