Configuration Interaction Studies on Contact Shift and Contact Nuclear Spin-Spin Coupling in Paramagnetic Transition Metal Complexes

Hajime Katô; Hiroshi Kato

doi:10.1246/bcsj.44.1734

Configuration Interaction Studies on Contact Shift and Contact Nuclear Spin-Spin Coupling in Paramagnetic Transition Metal Complexes

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.44.1734 ◽

1971 ◽

Vol 44 (7) ◽

pp. 1734-1739 ◽

Cited By ~ 3

Author(s):

Hajime Katô ◽

Hiroshi Kato

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Configuration Interaction ◽

Nuclear Spin ◽

Spin Coupling ◽

Interaction Studies ◽

Contact Shift ◽

Spin Spin Coupling

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ChemInform Abstract: cis Influence on Nuclear Spin-Spin Coupling Constants and Metal-Lignd Bonding Properties in Tin(II)-Coordinated Transition-Metal Complexes

ChemInform ◽

10.1002/chin.198801001 ◽

1988 ◽

Vol 19 (1) ◽

Author(s):

T. YAMAKAWA ◽

H. MORIYAMA ◽

S. SHINODA ◽

Y. SAITO

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Bonding Properties ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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Cis influence on nuclear spin-spin coupling constants and metal-ligand bonding properties in tin(II)-coordinated transition-metal complexes

Inorganic Chemistry ◽

10.1021/ic00267a027 ◽

1987 ◽

Vol 26 (20) ◽

pp. 3347-3353 ◽

Cited By ~ 4

Author(s):

Tetsu Yamakawa ◽

Hiroshi Moriyama ◽

Sumio Shinoda ◽

Yasukazu Saito

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Bonding Properties ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Metal Ligand

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Importance of Direct Spin−Spin Coupling and Spin-Flip Excitations for the Zero-Field Splittings of Transition Metal Complexes: A Case Study

Journal of the American Chemical Society ◽

10.1021/ja061798a ◽

2006 ◽

Vol 128 (31) ◽

pp. 10213-10222 ◽

Cited By ~ 326

Author(s):

Frank Neese

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Spin Coupling ◽

Zero Field ◽

Spin Flip ◽

Spin Spin Coupling

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Signs of interphosphorus nuclear spin coupling constants in octahedral transition-metal complexes containing chelated phosphine ligands

Inorganic Chemistry ◽

10.1021/ic00279a038 ◽

1988 ◽

Vol 27 (6) ◽

pp. 1111-1112 ◽

Cited By ~ 5

Author(s):

Jonathan L. Bookham ◽

Xavier L. R. Fontaine ◽

John D. Kennedy ◽

William McFarlane

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Nuclear Spin ◽

Phosphine Ligands ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants

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ChemInform Abstract: Signs of Interphosphorus Nuclear Spin Coupling Constants in Octahedral Transition-Metal Complexes Containing Chelated Phosphine Ligands.

ChemInform ◽

10.1002/chin.198828034 ◽

1988 ◽

Vol 19 (28) ◽

Author(s):

J. L. BOOKHAM ◽

X. L. R. FONTAINE ◽

J. D. KENNEDY ◽

W. MCFARLANE

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Nuclear Spin ◽

Phosphine Ligands ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants

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Toward Full Configuration Interaction for Transition-Metal Complexes

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.0c07624 ◽

2021 ◽

Vol 125 (7) ◽

pp. 1598-1609

Author(s):

Alan E. Rask ◽

Paul M. Zimmerman

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Configuration Interaction ◽

Full Configuration Interaction

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On the theory of electron and nuclear spin relaxation in paramagnetic transition metal complexes

Molecular Physics ◽

10.1080/00268978000102351 ◽

1980 ◽

Vol 40 (6) ◽

pp. 1379-1387 ◽

Cited By ~ 1

Author(s):

Kerwyn M. Kleinschmidt ◽

John F. Dobson ◽

David M. Doddrell

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Spin Relaxation ◽

Nuclear Spin ◽

Nuclear Spin Relaxation

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Coupled Hartree–Fock and finite perturbation–configuration interaction calculations of nuclear spin–spin coupling constants in the second‐row hydrides

The Journal of Chemical Physics ◽

10.1063/1.441362 ◽

1981 ◽

Vol 74 (4) ◽

pp. 2412-2415 ◽

Cited By ~ 27

Author(s):

Jozef Kowalewski ◽

Aatto Laaksonen ◽

Victor R. Saunders

Keyword(s):

Configuration Interaction ◽

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Hartree Fock ◽

Finite Perturbation ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Configuration Interaction Calculations

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The Long-range1H-14N Spin Coupling in Transition Metal Complexes of Alkyl Isocyanides

Journal of Coordination Chemistry ◽

10.1080/00958977708073026 ◽

1977 ◽

Vol 6 (4) ◽

pp. 241-244 ◽

Cited By ~ 4

Author(s):

Yasuhiro Yamamoto ◽

Hiroshi Yamazaki

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Spin Coupling ◽

Alkyl Isocyanides

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Assessing the density functional theory-based multireference configuration interaction (DFT/MRCI) method for transition metal complexes

The Journal of Chemical Physics ◽

10.1063/1.4875810 ◽

2014 ◽

Vol 140 (19) ◽

pp. 194105 ◽

Cited By ~ 37

Author(s):

Daniel Escudero ◽

Walter Thiel

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Configuration Interaction ◽

Density Functional ◽

Functional Theory ◽

The Density Functional Theory

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