Theoretical study of hyperfine coupling constants of some .sigma. radicals based on the INDO [intermediate neglect of differential overlap] method

The Journal of Physical Chemistry ◽

10.1021/j100648a018 ◽

1972 ◽

Vol 76 (4) ◽

pp. 553-564 ◽

Author(s):

M. F. Chiu ◽

B. C. Gilbert ◽

B. T. Sutcliffe

Keyword(s):

Hyperfine Coupling ◽

Theoretical Study ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Overlap Method ◽

Neglect Of Differential Overlap

Download Full-text

Hyperfine coupling constants, electron-spin g-factors and vertical spectra of the X2Σ+radicals BeH, MgH, CaH and BZ+, AlZ+, GaZ+(Z = H, Li, Na, K). A theoretical study

Physical Chemistry Chemical Physics ◽

10.1039/b303698g ◽

2003 ◽

Vol 5 (15) ◽

pp. 3140-3153 ◽

Author(s):

Pablo J. Bruna ◽

Friedrich Grein

Keyword(s):

Electron Spin ◽

Hyperfine Coupling ◽

Theoretical Study ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Download Full-text

A theoretical study of nuclear spin coupling constants and hyperfine coupling constants of se-heterocyclics

Organic Magnetic Resonance ◽

10.1002/mrc.1270060903 ◽

1974 ◽

Vol 6 (9) ◽

pp. 475-478 ◽

Author(s):

V. Galasso ◽

A. Bigotto

Keyword(s):

Nuclear Spin ◽

Hyperfine Coupling ◽

Theoretical Study ◽

Coupling Constants ◽

Spin Coupling ◽

Hyperfine Coupling Constants ◽

Spin Coupling Constants

Download Full-text

A Theoretical Study of Cu(II) Sites in a Faujasite-Type Zeolite: Structures and Electron Paramagnetic Resonance Hyperfine Coupling Constants

The Journal of Physical Chemistry B ◽

10.1021/jp014698u ◽

2002 ◽

Vol 106 (30) ◽

pp. 7483-7488 ◽

Author(s):

Dorothée Berthomieu ◽

Jean-Marie Ducéré ◽

Annick Goursot

Keyword(s):

Electron Paramagnetic Resonance ◽

Hyperfine Coupling ◽

Theoretical Study ◽

Coupling Constants ◽

Paramagnetic Resonance ◽

Hyperfine Coupling Constants ◽

Type Zeolite ◽

Electron Paramagnetic

Download Full-text

Theoretical study of hyperfine coupling constants of uracil, cytosine and their halogenated derivatives in triplet state

Chemical Physics ◽

10.1016/j.chemphys.2004.09.034 ◽

2005 ◽

Vol 310 (1-3) ◽

pp. 1-9 ◽

Author(s):

Xin-Juan Hou ◽

Minh Tho Nguyen

Keyword(s):

Triplet State ◽

Hyperfine Coupling ◽

Theoretical Study ◽

Coupling Constants ◽

Hyperfine Coupling Constants

Download Full-text

Theoretical study of the hyperfine coupling constants and electron-spin magnetic moments (g-factors) of X2Σ+ alkali-metal radicals XY± (X,Y=Li,Na,K)

Chemical Physics ◽

10.1016/s0301-0104(01)00552-3 ◽

2002 ◽

Vol 276 (1) ◽

pp. 1-13 ◽

Author(s):

Pablo J. Bruna ◽

Friedrich Grein

Keyword(s):

Alkali Metal ◽

Electron Spin ◽

Hyperfine Coupling ◽

Theoretical Study ◽

Magnetic Moments ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Download Full-text

Theoretical study of hyperfine coupling constants in ethyl radical

The Journal of Chemical Physics ◽

10.1063/1.460290 ◽

1991 ◽

Vol 94 (10) ◽

pp. 6632-6637 ◽

Author(s):

Daniel M. Chipman

Keyword(s):

Hyperfine Coupling ◽

Theoretical Study ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Download Full-text

Theoretical study of hyperfine coupling constants and electron spingfactors for X2Σ+diatomics from Groups 1 and 2

Molecular Physics ◽

10.1080/00268970110101347 ◽

2002 ◽

Vol 100 (11) ◽

pp. 1681-1691 ◽

Author(s):

PABLO J. BRUNA ◽

FRIEDRICH GREIN

Keyword(s):

Hyperfine Coupling ◽

Theoretical Study ◽

Coupling Constants ◽

Hyperfine Coupling Constants

Download Full-text

Influence of Coligands on the EPR Hyperfine Coupling Constants of the Cu(I)−NO System − A Theoretical Study

The Journal of Physical Chemistry A ◽

10.1021/jp0363388 ◽

2004 ◽

Vol 108 (9) ◽

pp. 1582-1588 ◽

Author(s):

Christoph Freysoldt ◽

Andreas Pöppl ◽

Joachim Reinhold

Keyword(s):

Hyperfine Coupling ◽

Theoretical Study ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Download Full-text

A theoretical study of the temperature dependence of isotropic hyperfine coupling constants for the ·CH3and ·CH2OH radicals

Molecular Physics ◽

10.1080/00268977800100381 ◽

1978 ◽

Vol 35 (2) ◽

pp. 525-539 ◽

Author(s):

B.T. Sutcliffe ◽

C. Gaze

Keyword(s):

Temperature Dependence ◽

Hyperfine Coupling ◽

Theoretical Study ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Isotropic Hyperfine Coupling ◽

Isotropic Hyperfine Coupling Constants

Download Full-text

Theoretical study on N2+, P2+, As2+, NP+, NAs+, and PAs+: Hyperfine coupling constants for , and electron-spin g-factors for and 1,22Σ+(XY+) states

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2005.04.004 ◽

2005 ◽

Vol 232 (2) ◽

pp. 137-150 ◽

Author(s):

Pablo J. Bruna ◽

Friedrich Grein

Keyword(s):

Electron Spin ◽

Hyperfine Coupling ◽

Theoretical Study ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Download Full-text