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Inorganic Chemistry, ISSN 0020-1669, 12/2013, Volume 52, Issue 23, pp. 13770 - 13778
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 11/2013, Volume 16, Issue 1, pp. 14 - 22
The study of spin crossover compounds by means of theoretical or experimental approaches has provided interesting results in recent decades. The main feature... 
DENSITY FUNCTIONALS | TRANSITION | ENERGY | FE(II) COMPLEXES | TEMPERATURE | SPECTROSCOPY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ENERGETICS | CHEMISTRY, PHYSICAL | MOLECULAR MATERIALS | STATE | ELECTRONIC-STRUCTURE | Charge transport
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 02/2016, Volume 55, Issue 4, pp. 1657 - 1663
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 07/2011, Volume 32, Issue 9, pp. 1998 - 2004
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 02/2016, Volume 55, Issue 4, p. 1657
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 05/2011, Volume 50, Issue 9, pp. 4016 - 4020
Journal Article
Nature Communications, ISSN 2041-1723, 07/2014, Volume 5, Issue 1, pp. 4300 - 4300
Transition metal ions with long-lived spin states represent minimum size magnetic bits. Magnetic memory has often been associated with the combination of high... 
COMPLEX | MULTIDISCIPLINARY SCIENCES | SYMMETRY
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 08/2013, Volume 52, Issue 35, pp. 9130 - 9134
A magnetic Co‐production : The complex [Co(μ‐L)(μ‐OAc)Y(NO 3 ) 2 ] (see structure O red, N blue, C gray), in which the Co II ion exhibits a D  value of... 
cobalt | yttrium | positive zero‐field splitting | single ion magnets | N,O ligands | positive zero-field splitting | Rare earth metals | Synthetic training devices | Magnetic fields
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 12/2013, Volume 52, Issue 23, p. 13770
Journal Article
SCIENTIFIC REPORTS, ISSN 2045-2322, 03/2019, Volume 9, Issue 1, pp. 3308 - 16
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 09/2017, Volume 23, Issue 51, pp. 12550 - 12558
In this paper, the influence of the structural and chemical effects on the Ising‐type magnetic anisotropy of pentacoordinate Co II complexes has been... 
single-ion magnets | ab initio calculations | Ising-type anisotropy | trigonal bipyramidal geometry | Chemical tests and reagents | Anisotropy | Acetonitrile | Magnetic induction | TPA | Magnetic relaxation | Chemical effects | Splitting | Dilution | Magnetic anisotropy | Computer applications | Ligands | Ising model | Field theory | Diamagnetism
Journal Article
Scientific Reports, ISSN 2045-2322, 04/2016, Volume 6, Issue 1, pp. 23847 - 23847
The finding of high-spin molecules that could behave as conventional magnets has been one of the main challenges in Molecular Magnetism. Here, the exchange... 
Cyanide | Ligands | Magnetism | Iron | Cations | Magnetic susceptibility | Index Medicus
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 01/2012, Volume 134, Issue 2, pp. 777 - 779
Coherent quantum transport calculations were performed for high- and low-spin states of a mononuclear Fe-II complex showing spin-crossover behavior using... 
DEVICES | DIELECTRIC-CONSTANT | CHEMISTRY, MULTIDISCIPLINARY | COMPLEXES | Measurement | Usage | Polarization (Electricity) | Electrical conductivity | Analysis | Density functionals | Charge transfer | Electron spin
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 2008, Volume 460, Issue 1, pp. 336 - 338
Exchange coupling constants of dinuclear transition metal complexes have been calculated using the new M0X suite of exchange-correlation functionals. The... 
CHEMISTRY | CHEMISTRY, PHYSICAL | NONCOVALENT INTERACTIONS | TRANSITION-METAL-COMPLEXES | THERMOCHEMICAL KINETICS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Journal Article
Comptes Rendus Chimie, ISSN 1631-0748, 10/2008, Volume 11, Issue 10, pp. 1227 - 1234
Theoretical calculations using density functional methods combined with relativistic approaches have been employed to study the magnetic properties of... 
Density functional calculations | Heterodinuclear complexes | Lanthanides | Exchange interactions | Magnetic properties | Relativistic effects
Journal Article
Dalton Transactions, ISSN 1477-9226, 2015, Volume 44, Issue 42, pp. 18632 - 18642
The syntheses and structural characterization of three new monodimensional azido-bridged manganese(ii) complexes with empirical formulae [Mn(N3)2(aminopyz)2]n... 
Manganès | Organic synthesis | Síntesi orgànica | Monte Carlo method | Magnetisme | Mètode de Montecarlo | Magnetism | Manganese
Journal Article
Coordination Chemistry Reviews, ISSN 0010-8545, 04/2015, Volume 289-290, Issue 1, pp. 379 - 392
This review examines mononuclear metal complexes with high magnetic anisotropy and the theoretical approaches used to rationalize their magnetic properties.... 
Molecular magnetism | Single-molecule magnets | Ab initio calculations | Magnetic anisotropy | SPIN-CROSSOVER | ZERO-FIELD | SINGLE-MOLECULE-MAGNET | LOW-SYMMETRY | EASY-PLANE ANISOTROPY | ION MAGNET | CHEMISTRY, INORGANIC & NUCLEAR | IRON(II) PYRROLIDE COMPLEXES | SLOW RELAXATION PROCESSES | URANIUM(III) COMPLEX | COBALT(II) COMPLEX | Anisotropy
Journal Article
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