Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians.
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Azurin as a Protein Scaffold for a Low-coordinate Nonheme Iron Site with a Small-molecule Binding PocketEquation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling.Theoretical determination of spin Hamiltonians with isotropic and anisotropic magnetic interactions in transition metal and lanthanide complexes.Deciphering the origin of giant magnetic anisotropy and fast quantum tunnelling in Rhenium(IV) single-molecule magnetsRole of Halide Ions in the Nature of the Magnetic Anisotropy in Tetrahedral CoII Complexes.Solvent-induced structural diversity in tetranuclear Ni(ii) Schiff-base complexes: the first Ni4 single-molecule magnet with a defective dicubane-like topology.Magnetic anisotropy of a Co(II) single ion magnet with distorted trigonal prismatic coordination: theory and experiment.Unraveling σ and π Effects on Magnetic Anisotropy in cis-NiA4 B2 Complexes: Magnetization, HF-HFEPR Studies, First-Principles Calculations, and Orbital Modeling.An Experimental and Theoretical Investigation on Pentacoordinated Cobalt(III) Complexes with an Intermediate S=1 Spin State: How Halide Ligands Affect their Magnetic Anisotropy.Coordination Complexes of a Neutral 1,2,4-Benzotriazinyl Radical Ligand: Synthesis, Molecular and Electronic Structures, and Magnetic Properties.Field-induced slow relaxation of magnetization in a pentacoordinate Co(II) compound [Co(phen)(DMSO)Cl2].Suppressing of slow magnetic relaxation in tetracoordinate Co(II) field-induced single-molecule magnet in hybrid material with ferromagnetic barium ferrite.Magnetic Anisotropy and Field-induced Slow Relaxation of Magnetization in Tetracoordinate CoII Compound [Co(CH₃-im)₂Cl₂].Effective bond orders from two-step spin-orbit coupling approaches: the I2, At2, IO(+), and AtO(+) case studies.Divergent Coordination Chemistry: Parallel Synthesis of [2×2] Iron(II) Grid-Complex Tauto-Conformers.Origin of the magnetic anisotropy in heptacoordinate Ni(II) and Co(II) complexes.Zero-field splitting in nickel(II) complexes: a comparison of DFT and multi-configurational wavefunction calculations.Effect of linear and non-linear pseudohalides on the structural and magnetic properties of Co(ii) hexacoordinate single-molecule magnets.Effect of Second-Order Spin-Orbit Coupling on the Interaction between Spin States in Spin-Crossover Systems.Calix[n]arene-based polyradicals: enhancing ferromagnetism by avoiding edge effects.Systematic Study of Open-Shell Trigonal Pyramidal Transition-Metal Complexes with a Rigid-Ligand Scaffold.Magnetic Anisotropy in Pentacoordinate NiII and CoII Complexes: Unraveling Electronic and Geometrical Contributions.Analysis of Magnetic Anisotropy and the Role of Magnetic Dilution in Triggering Single-Molecule Magnet (SMM) Behavior in a Family of CoII YIII Dinuclear Complexes with Easy-Plane Anisotropy.Pentagonal Bipyramid FeII Complexes: Robust Ising-Spin Units towards Heteropolynuclear Nanomagnets.Impact of Substituent Variation on the Presence of Thermal Spin Crossover in a Series of Mononuclear Iron(III) Schiff Base Complexes with Terminal Pseudohalido Co-ligands.Two polymorphic Co(ii) field-induced single-ion magnets with enormous angular distortion from the ideal octahedron.Theoretical evidence for the direct 3MLCT-HS deactivation in the light-induced spin crossover of Fe(ii)-polypyridyl complexes.Ab initio and DFT studies of the spin-orbit and spin-spin contributions to the zero-field splitting tensors of triplet nitrenes with aryl scaffolds.Tuning the Ising-type anisotropy in trigonal bipyramidal Co(II) complexes.Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.Pentacoordinate and Hexacoordinate Mn(III) Complexes of Tetradentate Schiff-Base Ligands Containing Tetracyanidoplatinate(II) Bridges and Revealing Uniaxial Magnetic Anisotropy.Magnetic state of pyrochlore Cd(2)Os(2)O(7) emerging from strong competition of ligand distortions and longer-range crystalline anisotropy.Quantum Chemistry and EPR ParametersA combined high-field EPR and quantum chemical study on a weakly ferromagnetically coupled dinuclear Mn(iii) complex. A complete analysis of the EPR spectrum beyond the strong coupling limitA theoretical analysis of chemical bonding, vibronic coupling, and magnetic anisotropy in linear iron(ii) complexes with single-molecule magnet behaviorZero field splitting of the chalcogen diatomics using relativistic correlated wave-function methodsMagnetization Reversal in CsNiIICrIII(CN)6Coordination Nanoparticles: Unravelling Surface Anisotropy and Dipolar Interaction Effects
P2860
Q27675182-8031665E-FC92-4010-B2BB-6273580B41A8Q35602778-42A46C44-A38D-4087-810D-BE976A87A848Q38150684-72BF8334-1FC4-40E6-AF6C-45E68881CEA4Q38541050-910340D3-8DC3-4B16-966D-FB8BEBD4196EQ38781606-64270BD3-EDF4-4F4B-838E-998D796CCBC6Q39202368-9AC04E55-336A-4679-8CB5-583DC9433AF1Q39252352-FBEEFD31-2D2F-4A55-9036-89E9DB4C6F26Q39306285-35743417-DEBA-4858-AE20-7E3BC5332589Q40274296-77166FC5-1F11-4F4F-A091-53C727739505Q40401178-1CA5007E-9424-4BDD-B3C3-4A2F222D258CQ40675068-1EF12FC0-C059-49D7-AAC8-997C459F118BQ40874016-E7A55317-7620-49CE-9BC3-21EADF9A5889Q40969707-1E7E0F2D-4AE2-49B0-8D53-A4F85F428FF8Q41279011-FDD1E079-EE7F-4584-B94D-C8CCA4378F6AQ42366807-214C9465-C111-4609-8E1B-F64217C333D3Q45367775-2AFD6650-7DC0-4AFA-8ACE-32281DBEEEC2Q45954954-4D4111EE-555C-4DBA-82CF-907CD1ADD0ACQ47192309-D88AD896-AB8C-4C53-8C7F-9291B82604E0Q47587254-C2D45EF2-EBD5-46A9-8719-A7CD2B517C64Q48055201-54F2349A-B84D-4A6C-AC7B-2B700D2F8EF0Q48092117-9446B1C4-97F6-41B8-B86B-DDB282317D39Q48178817-CE6E5BEA-0495-41DA-B8B5-C9155FD614DCQ48292355-6CCC1B43-36CD-4151-9555-BACE5C9D08F3Q48316751-0B69F9D1-494E-4A15-A0AA-ECC3A51BCB80Q49859325-A92EC96A-3D52-4FC2-A5EC-0CB9ACA9CC17Q50091553-A455DADB-EBB1-4011-AC93-8BB962B4C5FAQ50176164-0A6F614E-6BE3-4D03-98B5-ED364130AFF9Q51593592-27F36E9D-BEF3-4205-8461-37132157F664Q51696330-88EDB6F6-FB75-49C9-8884-CF95E31C40D7Q52314820-647800C8-DB29-454A-8C68-F6B0A44BA666Q52779652-6E729D22-3A5A-45CD-B32E-89455D87734DQ53787361-DCF90D59-9DFD-44F9-958C-CDA34AFC462DQ58009347-BF960E9F-6ED0-4834-868D-0D8F3010683CQ58009623-FC46E576-9520-4543-9954-79753BB733A6Q58009627-58291352-D4E7-4186-94BD-A4DA855A76AAQ58009869-7AD2C51B-9D20-4E4E-8C9D-5DA504BDD383Q58239795-C85A9CF0-1DB7-438D-9349-9E35E750335A
P2860
Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians.
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
2009年论文
@zh
2009年论文
@zh-cn
name
Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians.
@en
type
label
Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians.
@en
prefLabel
Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians.
@en
P2093
P356
P1476
Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians.
@en
P2093
Coen de Graaf
Nicolas Suaud
Roland Bastardis
Rémi Maurice
P304
P356
10.1021/CT900326E
P577
2009-10-02T00:00:00Z