Related references
Note: Only part of the references are listed.On the Importance of Thermal Effects and Crystalline Disorder in the Magnetism of Benzotriazinyl-Derived Organic Radicals
Maria Fumanal et al.
CHEMISTRY-AN ASIAN JOURNAL (2014)
Assessing the Performance of CASPT2 and DFT Methods for the Description of Long, Multicenter Bonding in Dimers between Radical Ions
Marcal Capdevila-Cortada et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers
Kristina Lekin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
A Magnetostructural Investigation of an Abrupt Spin Transition for 1-Phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl
Christos P. Constantinides et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Intermolecular THz Vibrations Relevant to Optically and Thermally Induced Magnetic Phase Transitions in the Strongly Correlated Organic Radical TTTA
Taro Kawano et al.
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN (2014)
The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials
Sergi Vela et al.
NATURE COMMUNICATIONS (2014)
Spin-triplet excitons in 1,3-diphenyl-7-(fur-2-yl)-1,4-dihydro-1,2,4-benzotriazin-4-yl
Christos P. Constantinides et al.
CHEMICAL COMMUNICATIONS (2013)
Impact of short and long-range effects on the magnetic interactions in neutral organic radical-based materials
Alex Domingo et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)
Quantum nuclear dynamics in the photophysics of diamondoids
Christopher E. Patrick et al.
NATURE COMMUNICATIONS (2013)
Playing with organic radicals as building blocks for functional molecular materials
Imma Ratera et al.
CHEMICAL SOCIETY REVIEWS (2012)
Seeking Hidden Magnetic Phenomena by Theoretical Means in a Thiooxoverdazyl Adduct
Martin Verot et al.
CHEMISTRY-AN ASIAN JOURNAL (2012)
The Absorption Spectrum of Cytosine Tautomers: Beyond the Static Approach
Alex Domingo et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
A Functional Nitroxide Radical Displaying Unique Thermochromism and Magnetic Phase Transition
Sachiko Matsumoto et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Spin Transition and Exchange Interaction: Janus Visions of Supramolecular Spin Coupling between Face-to-Face Verdazyl Radicals
Lucie Norel et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Calculation of microscopic exchange interactions and modelling of macroscopic magnetic properties in molecule-based magnets
J. J. Novoa et al.
CHEMICAL SOCIETY REVIEWS (2011)
Molecular tailoring of spin-transition materials: preparation, crystal structure and magnetism of trifluoromethyl-pyridyl-1,3,2-dithiazolyl
Antonio Alberola et al.
CRYSTENGCOMM (2011)
Third-Order Nonlinear Optical Properties of Open-Shell Supermolecular Systems Composed of Acetylene Linked Phenalenyl Radicals
Masayoshi Nakano et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Studying the Origin of the Antiferromagnetic to Spin-Canting Transition in the beta-p-NCC6F4CNSSN center dot Molecular Magnet
Merce Deumal et al.
CHEMISTRY-A EUROPEAN JOURNAL (2010)
Toward Verdazyl Radical-Based Materials: Ab Initio Inspection of Potential Organic Candidates for Spin-Crossover Phenomenon
Jean-Baptiste Rota et al.
INORGANIC CHEMISTRY (2010)
Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections
Tomas Bucko et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Hysteretic Spin Crossover between a Bisdithiazolyl Radical and Its Hypervalent σ-Dimer
Kristina Lekin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Phosphorus Chemical Shifts in a Nucleic Acid Backbone from Combined Molecular Dynamics and Density Functional Calculations
Jana Precechtelova et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Origin of the Magnetic Bistability in Molecule-Based Magnets: A First-Principles Bottom-Up Study of the TTTA Crystal
Caroline S. Clarke et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Structure and Property Correlations in Heavy Atom Radical Conductors
Alicea A. Leitch et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Highly efficient photoinduced phase transition in an organic radical crystal via two-photon absorption process
Toyoki Kon et al.
PHYSICAL REVIEW B (2009)
Nonlinear conversion dynamics from self-trapped exciton states to a macroscopic photoinduced phase in strongly correlated organic radical crystals
Ikufumi Katayama et al.
PHYSICAL REVIEW B (2009)
Structural Study of a Dimerization Process in an Organic Radical Magnet, BBDTA center dot InBr(4)
Wataru Fujita et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Localization of spin and charge in phenalenyl-based neutral radical conductors
Robert C. Haddon et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
High-field EPR reveals the strongly temperature-dependent exchange interaction in Breathing crystals Cu(hfac)2LR
Sergey L. Veber et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Dynamical magnetostructural properties of Anabaena ferredoxin
Eduard Schreiner et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
Structural study of the thermally induced and photoinduced phase transitions of the 1,3,5-trithia-2,4,6-triazapentalenyl (TTTA) radical
Pance Naumov et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Structural control of dithiazolyl radicals:: Case studies on 3′- and 4′-cyano-benzo-1,3,2-dithiazolyl, NCC6H3S2N
Antonio Alberola et al.
JOURNAL OF ORGANOMETALLIC CHEMISTRY (2007)
What's new in stable radical chemistry?
Robin G. Hicks
ORGANIC & BIOMOLECULAR CHEMISTRY (2007)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Significant reduction of on-site Coulomb energy U due to short-range correlation in an organic Mott insulator
Kaoru Ohno et al.
CHEMPHYSCHEM (2006)
A one-dimensional coordination polymer, BBDTA•InCl4:: Possible spin-Peierls transition with high critical temperature of 108 K
Wataru Fujita et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Interplay of stereoelectronic and enviromental effects in tuning the structural and magnetic properties of a prototypical spin probe: Further insights from a first principle dynamical approach
M Pavone et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Spin transitions in a dithiazolyl radical:: Preparation, crystal structures, and magnetic properties of 3-cyanobenzo-1,3,2-dithiazolyl, C7H3S2N2•
A Alberola et al.
INORGANIC CHEMISTRY (2006)
Nuclear magnetic shielding and quadrupole coupling tensors in liquid water:: A combined molecular dynamics simulation and quantum chemical study
TS Pennanen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
The mechanism of magnetic interactions in the bulk ferromagnet para(methylthio)phenyl nitronyl nitroxide (YUJNEW):: A first principles, bottom-up, theoretical study
M Deumal et al.
CHEMISTRY-A EUROPEAN JOURNAL (2004)
Pressure effects on magnetic bistability in a heterocyclic thiazyl radical TTTA
T Tanaka et al.
CHEMICAL PHYSICS LETTERS (2004)
Bistabilities in 1,3,2-dithiazolyl radicals
JL Brusso et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Bistability and the phase transition in 1,3,2-dithiazolo[4,5-b]pyrazin-2-yl
JL Brusso et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Quantum and thermal fluctuation effects on the photoabsorption spectra of clusters -: art. no. 183401
F Della Sala et al.
PHYSICAL REVIEW LETTERS (2004)
Photoinduced phase transition in an organic radical crystal with room-temperature optical and magnetic bistability
H Matsuzaki et al.
PHYSICAL REVIEW LETTERS (2003)
Magneto-opto-electronic bistability in a phenalenyl-based neutral radical
ME Itkis et al.
SCIENCE (2002)
Magnetic properties of organic molecular crystals via an algebraic Heisenberg Hamiltonian. Applications to WILVIW, TOLKEK, and KAXHAS nitronyl nitroxide crystals
M Deumal et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Observation of a hysteretic phase transition in a crystalline dinitroxide biradical that leads to magnetic bistability
DA Shultz et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
A new ab-initio approach for NMR chemical shifts in periodic systems
D Sebastiani et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Synthesis, crystal structures, electronic structure and magnetic behaviour of the trithiatriazapentalenyl radical, C2S3N3
GD McManus et al.
JOURNAL OF MATERIALS CHEMISTRY (2001)