Spin-orbit corrections to the indirect nuclear spin-spin coupling constants in XH4 (X = C, Si, Ge, and Sn)

Sheela Kirpekar; Hans Jørgen Aagaard Jensen; Jens Oddershede

doi:10.1007/bf02329240

Spin-orbit corrections to the indirect nuclear spin-spin coupling constants in XH4 (X = C, Si, Ge, and Sn)

Theoretica Chimica Acta ◽

10.1007/bf02329240 ◽

1997 ◽

Vol 95 (1-2) ◽

pp. 35-47 ◽

Cited By ~ 12

Author(s):

Sheela Kirpekar ◽

Hans Jørgen Aagaard Jensen ◽

Jens Oddershede

Keyword(s):

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Orbit ◽

Spin Coupling Constants ◽

Spin Spin Coupling

Download Full-text

Nuclear spin–spin coupling constants from regular approximate relativistic density functional calculations. II. Spin–orbit coupling effects and anisotropies

The Journal of Chemical Physics ◽

10.1063/1.1321310 ◽

2000 ◽

Vol 113 (21) ◽

pp. 9410-9418 ◽

Cited By ~ 155

Author(s):

Jochen Autschbach ◽

Tom Ziegler

Keyword(s):

Nuclear Spin ◽

Density Functional Calculations ◽

Density Functional ◽

Coupling Constants ◽

Orbit Coupling ◽

Spin Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Spin Coupling Constants ◽

Spin Spin Coupling

Download Full-text

Density functional theory study of indirect nuclear spin-spin coupling constants with spin-orbit corrections

The Journal of Chemical Physics ◽

10.1063/1.1947190 ◽

2005 ◽

Vol 123 (1) ◽

pp. 014101 ◽

Cited By ~ 12

Author(s):

Corneliu I. Oprea ◽

Zilvinas Rinkevicius ◽

Olav Vahtras ◽

Hans Ågren ◽

Kenneth Ruud

Keyword(s):

Density Functional Theory ◽

Nuclear Spin ◽

Density Functional ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Orbit ◽

Density Functional Theory Study ◽

Functional Theory ◽

Spin Coupling Constants ◽

Spin Spin Coupling

Download Full-text

Spin–orbit corrections to the indirect nuclear spin–spin coupling constants in XH

Theoretica Chimica Acta ◽

10.1007/s002140050181 ◽

1997 ◽

Vol 95 (1) ◽

pp. 35 ◽

Cited By ~ 5

Author(s):

Sheela Kirpekar ◽

Hans Jørgen Aagaard Jensen ◽

Jens Oddershede

Keyword(s):

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Orbit ◽

Spin Coupling Constants ◽

Spin Spin Coupling

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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 ◽

Cited By ~ 5

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

Download Full-text

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 ◽

Cited By ~ 62

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 ◽

Lone Pairs ◽

Spin Coupling Constants ◽

Spin Spin Coupling

Download Full-text

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

Download Full-text

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 ◽

Cited By ~ 60

Author(s):

Jerome M. Schulman ◽

Marshall D. Newton

Keyword(s):

Nuclear Spin ◽

Coupling Constants ◽

Spin Coupling ◽

Spin Coupling Constants ◽

Spin Spin Coupling

Download Full-text