Exact Mapping from Many‐Spin Hamiltonians to Giant‐Spin Hamiltonians
Ghassemi Tabrizi, Shadan, Arbuznikov, Alexei V., Kaupp, Martin
Published in Chemistry : a European journal (26.03.2018)
Published in Chemistry : a European journal (26.03.2018)
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Journal Article
Ion-Molecule Reactions of "Rollover" Cyclometalated [Pt(bipy−H)]+ (bipy=2,2′-bipyridine) with Dimethyl Ether in Comparison with Dimethyl Sulfide: An Experimental/Computational Study
Butschke, Burkhard, Ghassemi Tabrizi, Shadan, Schwarz, Helmut
Published in Chemistry : a European journal (06.04.2010)
Published in Chemistry : a European journal (06.04.2010)
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Journal Article
Hubbard Trimer with Spin–Orbit Coupling: Hartree–Fock Solutions, (Non)Collinearity, and Anisotropic Spin Hamiltonian
Ghassemi Tabrizi, Shadan, Arbuznikov, Alexei V, Kaupp, Martin
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.03.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.03.2019)
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Journal Article
Understanding Thermodynamic and Spectroscopic Properties of Tetragonal Mn 12 Single-Molecule Magnets from Combined Density Functional Theory/Spin-Hamiltonian Calculations
Ghassemi Tabrizi, Shadan, Arbuznikov, Alexei V., Kaupp, Martin
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.09.2016)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.09.2016)
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Journal Article
Understanding Thermodynamic and Spectroscopic Properties of Tetragonal Mn12 Single-Molecule Magnets from Combined Density Functional Theory/Spin-Hamiltonian Calculations
Ghassemi Tabrizi, Shadan, Arbuznikov, Alexei V, Kaupp, Martin
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.09.2016)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.09.2016)
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Journal Article
Hyperfine-Coupling Tensors from Projected Hartree–Fock Theory
Ghassemi Tabrizi, Shadan, Arbuznikov, Alexei V, Jiménez-Hoyos, Carlos A, Kaupp, Martin
Published in Journal of chemical theory and computation (13.10.2020)
Published in Journal of chemical theory and computation (13.10.2020)
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Journal Article
The Mössbauer Parameters of the Proximal Cluster of Membrane-Bound Hydrogenase Revisited: A Density Functional Theory Study
Tabrizi, Shadan Ghassemi, Pelmenschikov, Vladimir, Noodleman, Louis, Kaupp, Martin
Published in Journal of chemical theory and computation (12.01.2016)
Published in Journal of chemical theory and computation (12.01.2016)
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Journal Article
Ground States of Heisenberg Spin Clusters from Projected Hartree-Fock Theory
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Paper
Journal Article
Calculation of molecular g-tensors by sampling spin orientations of generalised Hartree-Fock states
Shadan Ghassemi Tabrizi, Rodríguez-Guzmán, R, Jiménez-Hoyos, Carlos A
Published in arXiv.org (21.10.2022)
Published in arXiv.org (21.10.2022)
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Paper
Journal Article
Construction of Giant‐Spin Hamiltonians from Many‐Spin Hamiltonians by Third‐Order Perturbation Theory and Application to an Fe 3 Cr Single‐Molecule Magnet
Tabrizi, Shadan Ghassemi, Arbuznikov, Alexei V., Kaupp, Martin
Published in Chemistry : a European journal (10.05.2016)
Published in Chemistry : a European journal (10.05.2016)
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Journal Article
Construction of Giant-Spin Hamiltonians from Many-Spin Hamiltonians by Third-Order Perturbation Theory and Application to an Fe sub(3)Cr Single-Molecule Magnet
Tabrizi, Shadan Ghassemi, Arbuznikov, Alexei V, Kaupp, Martin
Published in Chemistry : a European journal (01.05.2016)
Published in Chemistry : a European journal (01.05.2016)
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Journal Article
Construction of Giant-Spin Hamiltonians from Many-Spin Hamiltonians by Third-Order Perturbation Theory and Application to an Fe3Cr Single-Molecule Magnet
Tabrizi, Shadan Ghassemi, Arbuznikov, Alexei V., Kaupp, Martin
Published in Chemistry : a European journal (10.05.2016)
Published in Chemistry : a European journal (10.05.2016)
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Journal Article