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Relativistic regular two-component Hamiltonians
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journal
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February 1996 |
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The Complete Active Space Self-Consistent Field Method and its Applications in Electronic Structure Calculations
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book
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January 1987 |
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Multiconfigurational Quantum Chemistry
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book
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January 2016 |
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Quantum Tunneling of Magnetization and Related Phenomena in Molecular Materials
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journal
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January 2003 |
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A Dysprosium Metallocene Single-Molecule Magnet Functioning at the Axial Limit
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journal
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July 2017 |
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Magnetic Anisotropy in Divalent Lanthanide Compounds
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journal
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May 2020 |
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Field-Induced Slow Magnetic Relaxation of Gd III Complex with a Pt−Gd Heterometallic Bond
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journal
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March 2017 |
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Slow Magnetic Relaxation in a Palladium–Gadolinium Complex Induced by Electron Density Donation from the Palladium Ion
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journal
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June 2018 |
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Coexistence of Spin–Lattice Relaxation and Phonon‐Bottleneck Processes in GdIII–Phthlocyaninato Triple‐Decker Complexes under Highly Diluted Conditions
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journal
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June 2020 |
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Optimized Slater-type basis sets for the elements 1-118
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journal
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May 2003 |
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Chemistry with ADF
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journal
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January 2001 |
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Effect of the damping function in dispersion corrected density functional theory
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journal
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March 2011 |
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Ultrawide Band Multifrequency High-Field EMR Technique: A Methodology for Increasing Spectroscopic Information
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journal
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February 2000 |
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Spectroscopy Methods for Molecular Nanomagnets
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book
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January 2014 |
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Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions: I. First row atoms
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journal
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January 1990 |
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Exact decoupling of the relativistic Fock operator
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journal
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January 2012 |
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A mean-field spin-orbit method applicable to correlated wavefunctions
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journal
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March 1996 |
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A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
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journal
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May 1980 |
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The restricted active space (RAS) state interaction approach with spin–orbit coupling
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journal
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May 2002 |
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Enthalpy of formation of europium dichloride and thermodynamic properties of the +2 and +3 aqueous ions of europium
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journal
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July 1973 |
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Macroscopic quantum tunneling of the magnetic moment
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journal
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May 1999 |
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Magnetic Axiality: Design Principles from Molecules to Materials
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journal
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July 2019 |
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High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopic Analysis of Metal–Ligand Covalency in a 4f 7 Valence Series (Eu 2+ , Gd 3+ , and Tb 4+ )
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journal
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June 2021 |
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Electron Paramagnetic Resonance Spectra of Pentagonal Bipyramidal Gadolinium Complexes
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journal
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May 2023 |
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Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb)
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journal
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May 2016 |
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Investigation into the Effects of a Trigonal-Planar Ligand Field on the Electronic Properties of Lanthanide(II) Tris(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb)
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journal
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April 2017 |
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OpenMolcas: From Source Code to Insight
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journal
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September 2019 |
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Single-Ion Behavior in New 2-D and 3-D Gadolinium 4f7 Materials: CsGd(SO4)2 and Cs[Gd(H2O)3(SO4)2]·H2O
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journal
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September 2022 |
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Field-Induced Slow Relaxation in a Monometallic Manganese(III) Single-Molecule Magnet
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journal
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December 2014 |
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Two-coordinate, nonlinear, crystalline d6 and d7 complexes: syntheses and structures of M{N(SiMePh2)2}2, M = Fe or Co
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journal
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November 1987 |
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Highly Anisotropic Rhenium(IV) Complexes: New Examples of Mononuclear Single-Molecule Magnets
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journal
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September 2013 |
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Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr 2+ , Gd 2+ , Tb 2+ , and Lu 2+
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journal
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May 2013 |
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Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln 2+ Ions in the [K(2.2.2-cryptand)][(C 5 H 4 SiMe 3 ) 3 Ln] Complexes: The Variable Nature of Dy 2+ and Nd 2+
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journal
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December 2014 |
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Record High Single-Ion Magnetic Moments Through 4f n 5d 1 Electron Configurations in the Divalent Lanthanide Complexes [(C 5 H 4 SiMe 3 ) 3 Ln] −
|
journal
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July 2015 |
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Synthesis and Magnetism of Neutral, Linear Metallocene Complexes of Terbium(II) and Dysprosium(II)
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journal
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August 2019 |
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Main Group Atoms and Dimers Studied with a New Relativistic ANO Basis Set
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December 2003 |
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New Relativistic Atomic Natural Orbital Basis Sets for Lanthanide Atoms with Applications to the Ce Diatom and LuF 3
|
journal
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November 2008 |
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Quantum computing in molecular magnets
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journal
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April 2001 |
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Molecular magnetic hysteresis at 60 kelvin in dysprosocenium
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journal
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August 2017 |
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Molecular spintronics using single-molecule magnets
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journal
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March 2008 |
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Molecular spins for quantum computation
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journal
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March 2019 |
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A trivalent 4f complex with two bis-silylamide ligands displaying slow magnetic relaxation
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journal
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May 2023 |
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Slow magnetic relaxation in lanthanide ladder type coordination polymers
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journal
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January 2014 |
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Structural and magnetic properties of some lanthanide (Ln = Eu( iii ), Gd( iii ) and Nd( iii )) cyanoacetate polymers: field-induced slow magnetic relaxation in the Gd and Nd substitutions
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journal
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January 2014 |
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Observation of unusual slow-relaxation of the magnetisation in a Gd-EDTA chelate
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journal
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January 2015 |
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Uncertainty estimates for magnetic relaxation times and magnetic relaxation parameters
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journal
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January 2019 |
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Slow magnetic relaxation in Ni–Ln (Ln = Ce, Gd, Dy) dinuclear complexes
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journal
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January 2019 |
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Slow magnetic relaxation in Cu(ii)–Eu(iii) and Cu(ii)–La(iii) complexes
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journal
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January 2019 |
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Electronic structures of bent lanthanide(III) complexes with two N-donor ligands
|
journal
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January 2019 |
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Spin dynamics in single-molecule magnets and molecular qubits
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journal
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January 2020 |
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Blocking like it's hot: a synthetic chemists’ path to high-temperature lanthanide single molecule magnets
|
journal
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January 2020 |
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High performance single-molecule magnets, Orbach or Raman relaxation suppression?
|
journal
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January 2020 |
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Approaching the free-ion limit in magnetically isotropic gadolinium(iii) via borohydride ligands
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journal
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January 2023 |
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Spin-orbit coupling constants from coupled-cluster response theory
|
journal
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January 2000 |
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Non-classical divalent lanthanide complexes
|
journal
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January 2010 |
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Dispersion and Absorption in Dielectrics I. Alternating Current Characteristics
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journal
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April 1941 |
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Quasirelativistic theory equivalent to fully relativistic theory
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journal
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December 2005 |
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Comment on “Quasirelativistic theory equivalent to fully relativistic theory” [J. Chem. Phys. 123, 241102 (2005)]
|
journal
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September 2006 |
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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
|
journal
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April 2010 |
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The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule
|
journal
|
February 1981 |
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Relativistic regular two‐component Hamiltonians
|
journal
|
September 1993 |
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Relativistic total energy using regular approximations
|
journal
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December 1994 |
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Ab initio calculation of anisotropic magnetic properties of complexes. I. Unique definition of pseudospin Hamiltonians and their derivation
|
journal
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August 2012 |
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Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional
|
journal
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March 1999 |
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Toward reliable density functional methods without adjustable parameters: The PBE0 model
|
journal
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April 1999 |
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Modern quantum chemistry with [Open]Molcas
|
journal
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June 2020 |
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A Comparison of the Super-CI and the Newton-Raphson Scheme in the Complete Active Space SCF Method
|
journal
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January 1980 |
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Spin relaxation and resonant phonon trapping in[Gd2(fum)3(H2O)4]⋅3H2O
|
journal
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June 2010 |
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Gd-Based Single-Ion Magnets with Tunable Magnetic Anisotropy: Molecular Design of Spin Qubits
|
journal
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June 2012 |
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Generalized Gradient Approximation Made Simple
|
journal
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October 1996 |
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Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
|
journal
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February 1997 |
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Will Spin-Relaxation Times in Molecular Magnets Permit Quantum Information Processing?
|
journal
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January 2007 |
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Crystal structure refinement with SHELXL
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journal
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January 2015 |
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SHELXT – Integrated space-group and crystal-structure determination
|
journal
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January 2015 |
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On a Degeneracy Theorem of Kramers
|
journal
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February 1952 |
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Magnetic hysteresis up to 80 kelvin in a dysprosium metallocene single-molecule magnet
|
journal
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October 2018 |
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Ultrahard magnetism from mixed-valence dilanthanide complexes with metal-metal bonding
|
journal
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January 2022 |
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One-Dimensional Gadolinium (III) Complexes Based on Alpha- and Beta-Amino Acids Exhibiting Field-Induced Slow Relaxation of Magnetization
|
journal
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March 2022 |
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Capability of the Free-Ion Eigenstates for Crystal-Field Splitting
|
journal
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January 2011 |