Valence-bond bond-order formulation for contact nuclear spin-spin coupling

Michael Barfield; M. Karplus

doi:10.1021/ja01029a001

Valence-bond bond-order formulation for contact nuclear spin-spin coupling

Journal of the American Chemical Society ◽

10.1021/ja01029a001 ◽

1969 ◽

Vol 91 (1) ◽

pp. 1-10 ◽

Cited By ~ 131

Author(s):

Michael Barfield ◽

M. Karplus

Keyword(s):

Nuclear Spin ◽

Bond Order ◽

Valence Bond ◽

Spin Coupling ◽

Spin Spin Coupling

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Extension of the Valence‐Bond Description of Nuclear Spin—Spin Coupling

The Journal of Chemical Physics ◽

10.1063/1.1840745 ◽

1967 ◽

Vol 46 (2) ◽

pp. 811-812 ◽

Cited By ~ 17

Author(s):

Michael Barfield

Keyword(s):

Nuclear Spin ◽

Valence Bond ◽

Spin Coupling ◽

Spin Spin Coupling

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Valence‐Bond Studies of Contact Nuclear Spin–Spin Coupling. I. A Truncated Matrix Sum Method

The Journal of Chemical Physics ◽

10.1063/1.1668013 ◽

1968 ◽

Vol 48 (10) ◽

pp. 4458-4462 ◽

Cited By ~ 32

Author(s):

Michael Barfield

Keyword(s):

Nuclear Spin ◽

Valence Bond ◽

Spin Coupling ◽

Spin Spin Coupling

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Valence bond calculation of nuclear spin-spin coupling constants. 2. Coupled valence bond perturbation theory

The Journal of Physical Chemistry ◽

10.1021/j100474a022 ◽

1979 ◽

Vol 83 (11) ◽

pp. 1470-1472 ◽

Cited By ~ 5

Author(s):

Bernard. Kirtman ◽

Kathryn Barr. Kirtley

Keyword(s):

Perturbation Theory ◽

Nuclear Spin ◽

Valence Bond ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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Valence bond calculation of nuclear spin–spin coupling constants. I. The distinguishable electron method

The Journal of Chemical Physics ◽

10.1063/1.433240 ◽

1976 ◽

Vol 65 (4) ◽

pp. 1357-1367 ◽

Cited By ~ 7

Author(s):

Bernard Kirtman ◽

Kathryn Barr Kirtley ◽

David A. Hasman

Keyword(s):

Nuclear Spin ◽

Valence Bond ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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Valence-bond studies of contact nuclear spin-spin coupling. III. .pi.-Electron coupling in aromatic and cyclic unsaturated hydrocarbons

Journal of the American Chemical Society ◽

10.1021/ja01044a004 ◽

1969 ◽

Vol 91 (16) ◽

pp. 4346-4352 ◽

Cited By ~ 41

Author(s):

Michael Barfield ◽

Bireswar Chakrabarti

Keyword(s):

Nuclear Spin ◽

Valence Bond ◽

Spin Coupling ◽

Unsaturated Hydrocarbons ◽

Electron Coupling ◽

Spin Spin Coupling

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Valence‐Bond Studies of Contact Nuclear Spin–Spin Coupling. II. Long‐Range Pi‐Electron Coupling between Protons

The Journal of Chemical Physics ◽

10.1063/1.1668014 ◽

1968 ◽

Vol 48 (10) ◽

pp. 4463-4468 ◽

Cited By ~ 43

Author(s):

Michael Barfield

Keyword(s):

Long Range ◽

Nuclear Spin ◽

Valence Bond ◽

Spin Coupling ◽

Electron Coupling ◽

Spin Spin Coupling

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A study of the correlativity between the ab initio maximum bond order hybrid orbital calculation results and the nuclear spin-spin coupling constants

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)04036-r ◽

1995 ◽

Vol 337 (1) ◽

pp. 67-76 ◽

Cited By ~ 1

Author(s):

Chang-Guo Zhan ◽

Shi-Yong Ye ◽

Wei-Xin Zhu ◽

Chang-Jun Zhang

Keyword(s):

Ab Initio ◽

Nuclear Spin ◽

Bond Order ◽

Coupling Constants ◽

Spin Coupling ◽

Maximum Bond Order ◽

Hybrid Orbital ◽

Calculation Results ◽

Spin Coupling Constants ◽

Spin Spin Coupling

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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 ◽

Cited By ~ 5

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 ◽

High Level ◽

Spin Spin Coupling

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