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A state-specific multireference coupled-cluster method based on the bivariational principle

The Journal of chemical physics, 2020-07, Vol.153 (2), p.024106-024106

2020

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Slow Magnetic Relaxation in Trigonal-Planar Mononuclear Fe(II) and Co(II) Bis(trimethylsilyl)amido ComplexesA Comparative Study

Inorganic chemistry, 2014-02, Vol.53 (4), p.1962-1974

2014

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A Fock-operator complete active space self-consistent field (CAS-SCF) method combined with frozen-density embedding

The Journal of chemical physics, 2021-02, Vol.154 (8), p.084120-084120

2021

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Interpretation of Coupled-Cluster Many-Electron Dynamics in Terms of Stationary States

Journal of chemical theory and computation, 2021-01, Vol.17 (1), p.388-404

2021

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Field-Induced Slow Magnetic Relaxation in the Ni(I) Complexes [NiCl(PPh3)2]·C4H8O and [Ni(N(SiMe3)2)(PPh3)2]

Inorganic chemistry, 2016-03, Vol.55 (5), p.2091-2100

2016

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Switching of a coupled spin pair in a single-molecule junction

Nature nanotechnology, 2013-08, Vol.8 (8), p.575-579

2013

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Divergent Coordination Chemistry: Parallel Synthesis of [2×2] Iron(II) Grid-Complex Tauto-Conformers

Angewandte Chemie International Edition, 2016-08, Vol.55 (36), p.10881-10885

International ed. in English, 2016

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Ab initio calculations on the magnetic properties of transition metal complexes

AIP Conference Proceedings, 2015, Vol.1702 (1)

2015

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Magnetic anisotropy in trigonal planar Fe() bis(trimethylsilyl)amido complexes of the type [Fe{N(SiMe)}L]-experiment and theory

Dalton transactions : an international journal of inorganic chemistry, 2019-10, Vol.48 (41), p.15699-15712

2019

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Guaranteed convergence for a class of coupled-cluster methods based on Arponen's extended theory

Molecular physics, 2020-10, Vol.118 (19-20)

2020

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Magnetic anisotropy of a Co II single ion magnet with distorted trigonal prismatic coordination: theory and experiment

Physical chemistry chemical physics : PCCP, 2016-11, Vol.18 (43), p.30135-30143

2016

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Frozen-density embedding employing configuration interaction as a subsystem method

Molecular physics, 2020-06, Vol.118 (12), p.e1665726

2020

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Development and Application of a Complete Active Space Spin‐Orbit Configuration Interaction Program Designed for Single Molecule Magnets

Chemphyschem, 2022-01, Vol.23 (1), p.e202100648-n/a

2022

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Cover Feature: Development and Application of a Complete Active Space Spin‐Orbit Configuration Interaction Program Designed for Single Molecule Magnets (ChemPhysChem 1/2022)

Chemphyschem, 2022-01, Vol.23 (1), p.n/a

2022

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Theoretische Chemie 2016: Quantenchemie für Einzelmolekülmagnete

Nachrichten aus der Chemie, 2017-03, Vol.65 (3), p.339-342

2017

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Field-Induced Co(II) Single-Ion Magnets with mer-Directing Ligands but Ambiguous Coordination Geometry

Inorganic chemistry, 2017-06, Vol.56 (11), p.6056-6066

2017

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Field-Induced Slow Magnetic Relaxation in the Ni(I) Complexes [NiCl(PPh 3 ) 2 ]·C 4 H 8 O and [Ni(N(SiMe 3 ) 2 )(PPh 3 ) 2 ]

Inorganic chemistry, 2016-03, Vol.55 (5), p.2091-2100

2016

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Magnetic anisotropy of a CoII single ion magnet with distorted trigonal prismatic coordination: theory and experimentElectronic supplementary information (ESI) available: Experimental details; crystal data and geometric information for structure 1, additional magnetic data and calculation details. CCDC 1422338. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6cp03157a

2016-11

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Magnetic anisotropy of a CoII single ion magnet with distorted trigonal prismatic coordination: theory and experiment

Physical chemistry chemical physics : PCCP, 2016-11, Vol.18 (43), p.30135-30143

2016

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Enantiopure Benzamidinate/Cyclooctatetraene Complexes of the Rare-Earth Elements: Synthesis, Structure, and Magnetism

Organometallics, 2018-11, Vol.37 (21), p.3708-3717

2018

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Trinuclear Early/Late-Transition-Metal Thiolate Complexes

European journal of inorganic chemistry, 2014-08, Vol.2014 (22), p.3510-3520

2014

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Rücktitelbild: Divergente Koordinationschemie: Parallele Synthese von [2×2]-Eisen(II)-Gitterkomplextautokonformeren (Angew. Chem. 36/2016)

Angewandte Chemie, 2016-08, Vol.128 (36), p.11080-11080

2016

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Back Cover: Divergent Coordination Chemistry: Parallel Synthesis of [2×2] Iron(II) Grid-Complex Tauto-Conformers (Angew. Chem. Int. Ed. 36/2016)

Angewandte Chemie International Edition, 2016-08, Vol.55 (36), p.10920-10920

International ed. in English, 2016

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Divergente Koordinationschemie: Parallele Synthese von [2×2]-Eisen(II)-Gitterkomplextautokonformeren

Angewandte Chemie, 2016-08, Vol.128 (36), p.11040-11044

2016

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Divergente Koordinationschemie: Parallele Synthese von [2×2]‐Eisen(II)‐Gitterkomplextautokonformeren

Angewandte Chemie, 2016-08, Vol.128 (36), p.11040-11044

2016

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A state-specific multireference coupled-cluster method based on the bivariational principle

Slow Magnetic Relaxation in Trigonal-Planar Mononuclear Fe(II) and Co(II) Bis(trimethylsilyl)amido ComplexesA Comparative Study

A Fock-operator complete active space self-consistent field (CAS-SCF) method combined with frozen-density embedding

Interpretation of Coupled-Cluster Many-Electron Dynamics in Terms of Stationary States

Field-Induced Slow Magnetic Relaxation in the Ni(I) Complexes [NiCl(PPh3)2]·C4H8O and [Ni(N(SiMe3)2)(PPh3)2]

Switching of a coupled spin pair in a single-molecule junction

Divergent Coordination Chemistry: Parallel Synthesis of [2×2] Iron(II) Grid-Complex Tauto-Conformers

Ab initio calculations on the magnetic properties of transition metal complexes

Magnetic anisotropy in trigonal planar Fe() bis(trimethylsilyl)amido complexes of the type [Fe{N(SiMe)}L]-experiment and theory

Guaranteed convergence for a class of coupled-cluster methods based on Arponen's extended theory

Magnetic anisotropy of a Co II single ion magnet with distorted trigonal prismatic coordination: theory and experiment

Frozen-density embedding employing configuration interaction as a subsystem method

Development and Application of a Complete Active Space Spin‐Orbit Configuration Interaction Program Designed for Single Molecule Magnets

Cover Feature: Development and Application of a Complete Active Space Spin‐Orbit Configuration Interaction Program Designed for Single Molecule Magnets (ChemPhysChem 1/2022)

Theoretische Chemie 2016: Quantenchemie für Einzelmolekülmagnete

Field-Induced Co(II) Single-Ion Magnets with mer-Directing Ligands but Ambiguous Coordination Geometry

Field-Induced Slow Magnetic Relaxation in the Ni(I) Complexes [NiCl(PPh 3 ) 2 ]·C 4 H 8 O and [Ni(N(SiMe 3 ) 2 )(PPh 3 ) 2 ]

Magnetic anisotropy of a CoII single ion magnet with distorted trigonal prismatic coordination: theory and experiment

Enantiopure Benzamidinate/Cyclooctatetraene Complexes of the Rare-Earth Elements: Synthesis, Structure, and Magnetism

Trinuclear Early/Late-Transition-Metal Thiolate Complexes

Rücktitelbild: Divergente Koordinationschemie: Parallele Synthese von [2×2]-Eisen(II)-Gitterkomplextautokonformeren (Angew. Chem. 36/2016)

Back Cover: Divergent Coordination Chemistry: Parallel Synthesis of [2×2] Iron(II) Grid-Complex Tauto-Conformers (Angew. Chem. Int. Ed. 36/2016)

Divergente Koordinationschemie: Parallele Synthese von [2×2]-Eisen(II)-Gitterkomplextautokonformeren

Divergente Koordinationschemie: Parallele Synthese von [2×2]‐Eisen(II)‐Gitterkomplextautokonformeren

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