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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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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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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Self-consistent time-dependent Hartree–Fock calculations of dynamic polarizabilities, dispersion forces, and nuclear spin–spin coupling constants for the H2 and HF molecules

The Journal of Chemical Physics ◽

10.1063/1.431725 ◽

1975 ◽

Vol 63 (7) ◽

pp. 2996 ◽

Author(s):

Jens Oddershede ◽

Poul Jo̸rgensen ◽

Nelson H. F. Beebe

Keyword(s):

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Time Dependent ◽

Dispersion Forces ◽

Hartree Fock ◽

Self Consistent ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Dynamic Polarizabilities

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Vibrational and thermal averaging of the indirect nuclear spin-spin coupling constants of CH4, SiH4, GeH4 and SnH4

Molecular Physics ◽

10.1080/00268979709482780 ◽

1997 ◽

Vol 91 (5) ◽

pp. 897-907 ◽

Author(s):

SHEELA KIRPEKAR ◽

THOMAS ENEVOLDSEN ◽

JENS ODDERSHEDE ◽

WILLIAM RAYNES

Keyword(s):

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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ChemInform Abstract: THE EFFECTS OF VIBRATIONAL AVERAGING ON THE CALCULATED NUCLEAR SPIN-SPIN COUPLING CONSTANTS OF AMMONIA

Chemischer Informationsdienst ◽

10.1002/chin.197809001 ◽

1978 ◽

Vol 9 (9) ◽

Author(s):

P. SOLOMON ◽

J. M. SCHULMAN

Keyword(s):

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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High‐Level Electron Correlation of the Indirect Nuclear Spin‐Spin Coupling Constants in Some Small Diboranes and Lithium‐Doped Diboranes

ChemistrySelect ◽

10.1002/slct.202100690 ◽

2021 ◽

Vol 6 (22) ◽

pp. 5451-5465

Author(s):

Antonio P. Santos Neto ◽

Roberto Rivelino ◽

Gabriel I. Pagola ◽

Patricio F. Provasi

Keyword(s):

Electron Correlation ◽

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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Geminal tin-tin indirect nuclear spin-spin coupling constants in some trimethyl tin group IV and group V compounds

Journal of Magnetic Resonance (1969) ◽

10.1016/0022-2364(81)90188-8 ◽

1981 ◽

Vol 44 (1) ◽

pp. 54-61 ◽

Author(s):

W Biffar ◽

T Gasparis-ebeling ◽

H Nöth ◽

W Storch ◽

B Wrackmeyer

Keyword(s):

Nuclear Spin ◽

Group Iv ◽

Coupling Constants ◽

Spin Coupling ◽

Group V ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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Proximity Effects on Nuclear Spin-Spin Coupling Constants. 1. J(CH) Couplings in the Vicinity of an Atom Bearing Lone Pairs

The Journal of Physical Chemistry ◽

10.1021/j100087a007 ◽

1994 ◽

Vol 98 (36) ◽

pp. 8858-8861 ◽

Author(s):

C. Vizioli ◽

M. C. Ruiz de Azua ◽

C. G. Giribet ◽

R. H. Contreras ◽

L. Turi ◽

...

Keyword(s):

Nuclear Spin ◽

Proximity Effects ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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ChemInform Abstract: ORBITAL CONTRIBUTIONS TO THE NUCLEAR SPIN-SPIN COUPLING CONSTANTS OF MOLECULES

Chemischer Informationsdienst ◽

10.1002/chin.197940062 ◽

1979 ◽

Vol 10 (40) ◽

Author(s):

W. S. LEE ◽

J. M. SCHULMAN

Keyword(s):

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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Contributions to the nuclear spin-spin coupling constants of directly bonded carbons

Journal of the American Chemical Society ◽

10.1021/ja00827a009 ◽

1974 ◽

Vol 96 (20) ◽

pp. 6295-6297 ◽

Author(s):

Jerome M. Schulman ◽

Marshall D. Newton

Keyword(s):

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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