Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies

Effect of the C(3)-Substituent in Verdazyl Radicals on their Profluorescent Behavior

(2016) Steffen Eusterwiemann et al.   CHIMIA

The quest for rationalizing the magnetism in purely organic semiquinone-bridged bisdithiazolyl molecular magnets

(2016) Maria Fumanal et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantum chemical approaches for controlling and evaluating intramolecular magnetic interactions in organic diradicals

(2015) Daeheum Cho et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Computational Quantum Chemistry for Multiple-Site Heisenberg Spin Couplings Made Simple: Still Only One Spin–Flip Required

(2015) Nicholas J. Mayhall et al.   Journal of Physical Chemistry Letters

Profluorescent verdazyl radicals – synthesis and characterization

(2015) David Matuschek et al.   Chemical Science

Ferromagnetic intermolecular exchange interaction in ethynyl-verdazyl radical crystals

(2014) Areej Merhi et al.   CRYSTENGCOMM

Computational quantum chemistry for single Heisenberg spin couplings made simple: Just one spin flip required

(2014) Nicholas J. Mayhall et al.   JOURNAL OF CHEMICAL PHYSICS

Magnetic Interactions in Molecules and Highly Correlated Materials: Physical Content, Analytical Derivation, and Rigorous Extraction of Magnetic Hamiltonians

(2013) Jean Paul Malrieu et al.   CHEMICAL REVIEWS

A modified CAS-CI approach for an efficient calculation of magnetic exchange coupling constants

(2013) Karin Fink et al.   MOLECULAR PHYSICS

Ferromagnetic Interactions in a 1D Alternating Linear Chain of π-Stacked 1,3-Diphenyl-7-(thien-2-yl)-1,4-dihydro-1,2,4-benzotriazin-4-yl Radicals

(2012) Christos P. Constantinides et al.   CHEMISTRY-A EUROPEAN JOURNAL

Systematic Approach To Design Organic Magnetic Molecules: Strongly Coupled Diradicals with Ethylene Coupler

(2012) Kyoung Chul Ko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Spin Transition and Exchange Interaction: Janus Visions of Supramolecular Spin Coupling between Face-to-Face Verdazyl Radicals

(2011) Lucie Norel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Calculation of microscopic exchange interactions and modelling of macroscopic magnetic properties in molecule-based magnets

(2011) J. J. Novoa et al.   CHEMICAL SOCIETY REVIEWS

Playing with organic radicals as building blocks for functional molecular materials

(2011) Imma Ratera et al.   CHEMICAL SOCIETY REVIEWS

Seeking Hidden Magnetic Phenomena by Theoretical Means in a Thiooxoverdazyl Adduct

(2011) Martin Vérot et al.   Chemistry-An Asian Journal

Introduction of a New Theory for the Calculation of Magnetic Coupling Based on Spin–Flip Constricted Variational Density Functional Theory. Application to Trinuclear Copper Complexes which Model the Native Intermediate in Multicopper Oxidases

(2011) Hristina Zhekova et al.   Journal of Chemical Theory and Computation

Spin-flip time dependent density functional theory for singlet–triplet splittings in σ,σ-biradicals

(2010) Zilvinas Rinkevicius et al.   CHEMICAL PHYSICS LETTERS

Toward Verdazyl Radical-Based Materials: Ab Initio Inspection of Potential Organic Candidates for Spin-Crossover Phenomenon

(2010) Jean-Baptiste Rota et al.   INORGANIC CHEMISTRY

Minimally augmented Karlsruhe basis sets

(2010) Jingjing Zheng et al.   THEORETICAL CHEMISTRY ACCOUNTS

A New Quantum Chemical Approach to the Magnetic Properties of Oligonuclear Transition-Metal Complexes: Application to a Model for the Tetranuclear Manganese Cluster of Photosystem II

(2009) Dimitrios A. Pantazis et al.   CHEMISTRY-A EUROPEAN JOURNAL

Trinuclear Terpyridine Frustrated Spin System with a MnIV3O4Core: Synthesis, Physical Characterization, and Quantum Chemical Modeling of Its Magnetic Properties

(2009) Carole Baffert et al.   INORGANIC CHEMISTRY

Diamagnetic Corrections and Pascal's Constants

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

Consistent van der Waals Radii for the Whole Main Group

(2009) Manjeera Mantina et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Magnetic Structure of the Large-Spin Mn10and Mn19Complexes: A Theoretical Complement to an Experimental Milestone

(2008) Eliseo Ruiz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Preparation and magnetic properties of verdazyl-substituted dihydrophenazine radical cation tetrachloroferrate salts

(2008) Yuki Masuda et al.   POLYHEDRON