Hyperfine coupling constants and angles of twist of phenyl and pentafluorophenyl substituted methyl radicals

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29747000892 ◽

1974 ◽

Vol 70 ◽

pp. 892 ◽

Cited By ~ 5

Author(s):

Andrew Hudson ◽

Henry J. Kent ◽

Richard A. Jackson ◽

Roger F. Treweek

Keyword(s):

Hyperfine Coupling ◽

Coupling Constants ◽

Methyl Radicals ◽

Hyperfine Coupling Constants

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Hybrid DFT study of the hyperfine coupling constants of methyl radicals in model matrix lattices

International Journal of Quantum Chemistry ◽

10.1002/qua.20646 ◽

2005 ◽

Vol 105 (1) ◽

pp. 79-83 ◽

Cited By ~ 3

Author(s):

Tomoya Takada ◽

Hiroto Tachikawa

Keyword(s):

Hyperfine Coupling ◽

Coupling Constants ◽

Dft Study ◽

Methyl Radicals ◽

Hyperfine Coupling Constants ◽

Model Matrix

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Molecular‐Orbital Theory of Geometry and Hyperfine Coupling Constants of Fluorinated Methyl Radicals

The Journal of Chemical Physics ◽

10.1063/1.1668077 ◽

1968 ◽

Vol 48 (10) ◽

pp. 4802-4803 ◽

Cited By ~ 43

Author(s):

David L. Beveridge ◽

Paul A. Dobosh ◽

J. A. Pople

Keyword(s):

Molecular Orbital ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Molecular Orbital Theory ◽

Methyl Radicals ◽

Orbital Theory ◽

Hyperfine Coupling Constants

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DFT and direct ab-initio MD study on hyperfine coupling constants of methyl radicals adsorbed on model surface of silica gel

Journal of Molecular Catalysis A Chemical ◽

10.1016/j.molcata.2009.06.022 ◽

2009 ◽

Vol 311 (1-2) ◽

pp. 54-60 ◽

Cited By ~ 5

Author(s):

Tomoya Takada ◽

Hiroto Tachikawa

Keyword(s):

Ab Initio ◽

Silica Gel ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Methyl Radicals ◽

Model Surface ◽

Hyperfine Coupling Constants ◽

Ab Initio Md

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ChemInform Abstract: HYPERFINE COUPLING CONSTANTS AND ANGLES OF TWIST OF PHENYL AND PENTAFLUOROPHENYL SUBSTITUTED METHYL RADICALS

Chemischer Informationsdienst ◽

10.1002/chin.197424071 ◽

1974 ◽

Vol 5 (24) ◽

pp. no-no

Author(s):

ANDREW HUDSON ◽

HENRY J. KENT ◽

RICHARD A. JACKSON ◽

ROGER F. TREWEEK

Keyword(s):

Hyperfine Coupling ◽

Coupling Constants ◽

Methyl Radicals ◽

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 ◽

Cited By ~ 1

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 ◽

Cited By ~ 12

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 ◽

Cited By ~ 4

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 ◽

Cited By ~ 3

Author(s):

Svetlin Mitov ◽

Alexander Panchenko ◽

Emil Roduner

Keyword(s):

Spin Polarization ◽

Hyperfine Coupling ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Alkyl Radicals

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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 ◽

Cited By ~ 30

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 ◽

Aqua Complexes

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A theoretical investigation of the effect of a sodium cation on the proton–electron hyperfine coupling constants of the cyclohexadienyl radical and some consequences for the muonium-substituted cyclohexadienyl radical, C6H6Mu, formed in zeolites

Physica B Condensed Matter ◽

10.1016/s0921-4526(00)00291-x ◽

2000 ◽

Vol 289-290 ◽

pp. 598-602 ◽

Cited By ~ 11

Author(s):

Brian Webster ◽

Roderick M. Macrae

Keyword(s):

Theoretical Investigation ◽

Hyperfine Coupling ◽

Sodium Cation ◽

Coupling Constants ◽

Hyperfine Coupling Constants ◽

Cyclohexadienyl Radical

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