Anisotropy of the Carbon‐13 and Proton Hyperfine Coupling Constants in Organic Radicals

The Journal of Chemical Physics ◽

10.1063/1.1673849 ◽

1970 ◽

Vol 53 (10) ◽

pp. 3836-3843 ◽

Author(s):

Michael Barfield

Keyword(s):

Hyperfine Coupling ◽

Organic Radicals ◽

Coupling Constants ◽

Hyperfine Coupling Constants

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Theoretical calculations of the hyperfine coupling constants of organic radicals.

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(85)85132-0 ◽

1985 ◽

Vol 120 ◽

pp. 383-386 ◽

Author(s):

C. Sieiro ◽

J.M.Garcia De La Vega

Keyword(s):

Hyperfine Coupling ◽

Theoretical Calculations ◽

Organic Radicals ◽

Coupling Constants ◽

Hyperfine Coupling Constants

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Hyperfine coupling constants of organic radicals

The Journal of Chemical Physics ◽

10.1063/1.473512 ◽

1997 ◽

Vol 106 (10) ◽

pp. 4061-4066 ◽

Author(s):

S. Ajith Perera ◽

Lynn M. Salemi ◽

Rodney J. Bartlett

Keyword(s):

Hyperfine Coupling ◽

Organic Radicals ◽

Coupling Constants ◽

Hyperfine Coupling Constants

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Calculations of Isotropic Hyperfine Coupling Constants of Organic Radicals. An Evaluation of Semiempirical, Hartree−Fock, and Density Functional Methods

The Journal of Physical Chemistry ◽

10.1021/jp961696e ◽

1996 ◽

Vol 100 (47) ◽

pp. 18371-18379 ◽

Author(s):

Rohit Batra ◽

Bernd Giese ◽

Martin Spichty ◽

Georg Gescheidt ◽

K. N. Houk

Keyword(s):

Density Functional ◽

Hyperfine Coupling ◽

Organic Radicals ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Hartree Fock ◽

Density Functional Methods ◽

Functional Methods ◽

Isotropic Hyperfine Coupling ◽

Isotropic Hyperfine Coupling Constants

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Erratum: Anisotropy of the Carbon‐13 and Proton Hyperfine Coupling Constants in Organic Radicals

The Journal of Chemical Physics ◽

10.1063/1.1676828 ◽

1971 ◽

Vol 55 (9) ◽

pp. 4682-4683 ◽

Author(s):

Michael Barfield

Keyword(s):

Hyperfine Coupling ◽

Organic Radicals ◽

Coupling Constants ◽

Hyperfine Coupling Constants

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Density Functional Theory Study of14N Isotropic Hyperfine Coupling Constants of Organic Radicals

The Journal of Physical Chemistry A ◽

10.1021/jp064900z ◽

2006 ◽

Vol 110 (50) ◽

pp. 13600-13608 ◽

Author(s):

L. Hermosilla ◽

P. Calle ◽

J. M. García de la Vega ◽

C. Sieiro

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Hyperfine Coupling ◽

Organic Radicals ◽

Coupling Constants ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hyperfine Coupling Constants ◽

Isotropic Hyperfine Coupling ◽

Isotropic Hyperfine Coupling Constants

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Effects of static and dynamic perturbations on isotropic hyperfine coupling constants in some quinone radicals

Magnetic Resonance in Chemistry ◽

10.1002/mrc.1521 ◽

2005 ◽

Vol 43 (3) ◽

pp. 231-234 ◽

Author(s):

S. L. Fiedler ◽

J. Eloranta

Keyword(s):

Hyperfine Coupling ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Isotropic Hyperfine Coupling ◽

Isotropic Hyperfine Coupling Constants

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Theory of hyperfine coupling constants of solvated molecules: Applications involving methyl and ClO2 radicals in different solvents

The Journal of Chemical Physics ◽

10.1063/1.470858 ◽

1996 ◽

Vol 104 (2) ◽

pp. 629-635 ◽

Author(s):

Berta Fernández ◽

Ove Christiansen ◽

Ota Bludsky ◽

Poul Jo/rgensen ◽

Kurt V. Mikkelsen

Keyword(s):

Hyperfine Coupling ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Solvated Molecules

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Paramagnetic species on catalytic surfaces—DFT investigations into structure sensitivity of the hyperfine coupling constants

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2003.10.043 ◽

2004 ◽

Vol 60 (6) ◽

pp. 1257-1265 ◽

Author(s):

Zbigniew Sojka ◽

Piotr Pietrzyk

Keyword(s):

Hyperfine Coupling ◽

Structure Sensitivity ◽

Coupling Constants ◽

Paramagnetic Species ◽

Hyperfine Coupling Constants ◽

Catalytic Surfaces

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Spin Polarization, Delocalization, and the Effect of Nonplanarity in Hyperfine Coupling Constants of Perfluorinated Alkyl Radicals

The Journal of Physical Chemistry A ◽

10.1021/jp070990b ◽

2007 ◽

Vol 111 (24) ◽

pp. 5294-5299 ◽

Author(s):

Svetlin Mitov ◽

Alexander Panchenko ◽

Emil Roduner

Keyword(s):

Spin Polarization ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

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Quantum Chemical Investigation of Hyperfine Coupling Constants on First Coordination Sphere Water Molecule of Gadolinium(III) Aqua Complexes

The Journal of Physical Chemistry A ◽

10.1021/jp053825+ ◽

2005 ◽

Vol 109 (48) ◽

pp. 10997-11005 ◽

Author(s):

Oleg V. Yazyev ◽

Lothar Helm ◽

Vladimir G. Malkin ◽

Olga L. Malkina

Keyword(s):

Water Molecule ◽

Coordination Sphere ◽

Quantum Chemical ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Chemical Investigation ◽

Hyperfine Coupling Constants ◽

Quantum Chemical Investigation ◽

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