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 ◽

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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Finite perturbation configuration interaction calculations of nuclear spin-spin coupling constants

Chemical Physics Letters ◽

10.1016/0009-2614(80)80024-8 ◽

1980 ◽

Vol 69 (1) ◽

pp. 109-112 ◽

Author(s):

A. Laaksonen ◽

J. Kowalewski ◽

P. Siegbahn

Keyword(s):

Configuration Interaction ◽

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Finite Perturbation ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Configuration Interaction Calculations

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Finite perturbation-configuration interaction calculations of nuclear spin-spin coupling constants for some monosubstituted methanes

Journal of the American Chemical Society ◽

10.1021/ja00408a002 ◽

1981 ◽

Vol 103 (18) ◽

pp. 5277-5283 ◽

Author(s):

A. Laaksonen ◽

J. Kowalewski

Keyword(s):

Configuration Interaction ◽

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Finite Perturbation ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Configuration Interaction Calculations

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ChemInform Abstract: FINITE PERTURBATION-CONFIGURATION INTERACTION CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING CONSTANTS FOR SOME MONOSUBSTITUTED METHANES

Chemischer Informationsdienst ◽

10.1002/chin.198150089 ◽

1981 ◽

Vol 12 (50) ◽

Author(s):

A. LAAKSONEN ◽

J. KOWALEWSKI

Keyword(s):

Configuration Interaction ◽

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Finite Perturbation ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Configuration Interaction Calculations

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Finite perturbation–configuration interaction calculations of nuclear spin–spin coupling constants. I. The first row hydrides and the hydrogen molecule

The Journal of Chemical Physics ◽

10.1063/1.438691 ◽

1979 ◽

Vol 71 (7) ◽

pp. 2896 ◽

Author(s):

Jozef Kowalewski ◽

Aatto Laaksonen ◽

Björn Roos ◽

Per Siegbahn

Keyword(s):

Configuration Interaction ◽

Nuclear Spin ◽

Hydrogen Molecule ◽

Coupling Constants ◽

Spin Coupling ◽

Finite Perturbation ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Configuration Interaction Calculations

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Large configuration interaction calculations of nuclear spin—spin coupling constants. I. HD molecule

Chemical Physics ◽

10.1016/0301-0104(74)80076-5 ◽

1974 ◽

Vol 3 (1) ◽

pp. 70-77 ◽

Author(s):

J. Kowalewski ◽

B. Roos ◽

P. Siegbahn ◽

R. Vestin

Keyword(s):

Configuration Interaction ◽

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Configuration Interaction Calculations

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Large configuration interaction calculations of nuclear spin-spin coupling constants

Chemical Physics ◽

10.1016/0301-0104(75)80116-9 ◽

1975 ◽

Vol 9 (1-2) ◽

pp. 29-39 ◽

Author(s):

J. Kowalewski ◽

B. Roos ◽

P. Siegbahn ◽

R. Vestin

Keyword(s):

Configuration Interaction ◽

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Configuration Interaction Calculations

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Large configuration interaction calculations of nuclear spin-spin coupling constants

Chemical Physics ◽

10.1016/0301-0104(75)80045-0 ◽

1975 ◽

Vol 11 (1) ◽

pp. 123-128 ◽

Author(s):

Jozef Kowalewski ◽

Björn Roos

Keyword(s):

Configuration Interaction ◽

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Configuration Interaction Calculations

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Finite perturbation MCSCF and CI calculations of nuclear spin-spin coupling constants for some molecules with multiple bonds

Chemical Physics ◽

10.1016/0301-0104(83)85275-6 ◽

1983 ◽

Vol 80 (3) ◽

pp. 221-227 ◽

Author(s):

Aatto Laaksonen ◽

Jozef Kowalewski ◽

Victor R. Saunders

Keyword(s):

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Multiple Bonds ◽

Finite Perturbation ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Ci Calculations

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Coupled hartree-fock and second order polarization propagator calculations of indirect nuclear spin-spin coupling constants for diatomic molecules

Chemical Physics ◽

10.1016/0301-0104(77)85154-9 ◽

1977 ◽

Vol 25 (3) ◽

pp. 451-458 ◽

Author(s):

Jens Oddershede ◽

Poul Jørgensen ◽

Nelson H.F. Beebe

Keyword(s):

Nuclear Spin ◽

Diatomic Molecules ◽

Second Order ◽

Coupling Constants ◽

Spin Coupling ◽

Polarization Propagator ◽

Hartree Fock ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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Indirect nuclear spin-spin coupling constants within the coupled multiconfiguration hartree-fock approximation

Chemical Physics Letters ◽

10.1016/0009-2614(80)87040-0 ◽

1980 ◽

Vol 76 (2) ◽

pp. 354-358 ◽

Author(s):

Preben Albertsen ◽

Poul Jørgensen ◽

Danny L. Yeager

Keyword(s):

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Hartree Fock ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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