Related references
Note: Only part of the references are listed.Reversible mechanism for spin crossover in transition-metal cyanides
Mukul Kabir et al.
PHYSICAL REVIEW B (2012)
Coexistence of Two Thermally Induced Intramolecular Electron Transfer Processes in a Series of Metal Complexes [M(Cat-N-BQ)(Cat-N-SQ)]/[M(Cat-N-BQ)(2)} (M = Co, Fe, and Ni) bearing Non-Innocent Catechol-Based Ligands: A Combined Experimental and Theoretical Study
Emi Evangelio et al.
CHEMISTRY-A EUROPEAN JOURNAL (2010)
Photomagnetic CoFe Prussian Blue Analogues: Role of the Cyanide Ions as Active Electron Transfer Bridges Modulated by Cyanide-Alkali Metal Ion Interactions
Jean-Daniel Cafun et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Organic radicals, a promising route towards original molecule-based magnetic materials
Cyrille Train et al.
COORDINATION CHEMISTRY REVIEWS (2009)
Light-induced Excited Spin State Trapping: Ab Initio Study of the Physics at the Molecular Level
Nicolas Suaud et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Primary Role of the Electrostatic Contributions in a Rational Growth of Hysteresis Loop in Spin-Crossover Fe(II) Complexes.
Mikael Kepenekian et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Magnetic bistability: From microscopic to macroscopic understandings of hysteretic behavior using ab initio calculations
Mikael Kepenekian et al.
PHYSICAL REVIEW B (2009)
Relative energy of the high-(5T2g) and low-(1A1g) spin states of the ferrous complexes [Fe(L)(NHS4)]:: CASPT2 versus density functional theory
Kristine Pierloot et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Light-induced excited-state spin trapping in tetrazole-based spin crossover systems
Belen Ordejon et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Quantum chemical study of the nature of the ground state and the pressure-induced spin transition in CaFeO3
Aymeric Sadoc et al.
PHYSICAL REVIEW B (2007)
Theoretical determination of the excited states and of g-factors of the creutz-taube ion, [(NH3)5-Ru-pyrazine-Ru-(NH3)5]5+
Helene Bolvin
INORGANIC CHEMISTRY (2007)
Competition between double exchange and purely magnetic Heisenberg models in mixed valence systems:: Application to half-doped manganites
Roland Bastardis et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Extension of the experimental electron density analysis to metastable states:: A case example of the spin crossover complex Fe(btr)2(NCS)2•H2O
Vincent Legrand et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Molecular mixed-valence cyanide bridged CoIII-FeII complexes
PV Bernhardt et al.
COORDINATION CHEMISTRY REVIEWS (2005)
New relativistic ANO basis sets for transition metal atoms
BO Roos et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Main group atoms and dimers studied with a new relativistic ANO basis set
BO Roos et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
G Ghigo et al.
CHEMICAL PHYSICS LETTERS (2004)
MOLCAS:: a program package for computational chemistry
G Karlström et al.
COMPUTATIONAL MATERIALS SCIENCE (2003)
From ab initio calculations to model Hamiltonians: The effective Hamiltonian technique as an efficient tool to describe mixed-valence molecules
H Bolvin
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Nature of the long-range structural changes induced by the molecular photoexcitation and by the relaxation in the Prussian blue analogue Rb1.8Co4[Fe(CN)6]3.3•13H2O.: A synchrotron X-ray diffraction study
V Escax et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2003)
Control of the magnetic and optical properties in molecular compounds by electrochemical, photochemical and chemical methods
O Sato et al.
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN (2003)
Environment effects on effective magnetic exchange integrals and local spectroscopy of extended strongly correlated systems
MB Lepetit et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Electron delocalization in mixed-valence Keggin polyoxometalates.: Ab initio calculation of the local effective transfer integrals and its consequences on the spin coupling
N Suaud et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
The influence of cis/trans isomerism on the physical properties of a cyano-bridged dinuclear mixed valence complex
PV Bernhardt et al.
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS (2002)
Photoinduced ferrimagnetic systems in Prussian blue analogues Cx(I)Co4[Fe(CN)6]y (CI = alkali cation).: 1.: Conditions to observe the phenomenon
A Bleuzen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
Ab initio evaluation of local effective interactions in α′-NaV2O5
N Suaud et al.
PHYSICAL REVIEW B (2000)