An ab initio study of the series of fluorinated ethanes C2HnF6-n (n = 0-6): geometries, total energies, and carbon-carbon bond dissociation energies

The Journal of Physical Chemistry ◽

10.1021/j100194a035 ◽

1992 ◽

Vol 96 (15) ◽

pp. 6287-6290 ◽

Author(s):

Jaime M. Martell ◽

Russell J. Boyd

Keyword(s):

Ab Initio ◽

Bond Dissociation Energies ◽

Ab Initio Study ◽

Carbon Bond ◽

Bond Dissociation ◽

Dissociation Energies ◽

Carbon Carbon Bond ◽

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Toward Site Specificity of Oxidative Damage in Proteins: C−H and C−C Bond Dissociation Energies and Reduction Potentials of the Radicals of Alanine, Serine, and Threonine ResiduesAn ab Initio Study

Journal of the American Chemical Society ◽

10.1021/ja9618210 ◽

1997 ◽

Vol 119 (1) ◽

pp. 208-217 ◽

Author(s):

A. Rauk ◽

D. Yu ◽

D. A. Armstrong

Keyword(s):

Oxidative Damage ◽

Ab Initio ◽

Site Specificity ◽

Bond Dissociation Energies ◽

Ab Initio Study ◽

Bond Dissociation ◽

Dissociation Energies ◽

Reduction Potentials

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Oxidative Damage to and by Cysteine in Proteins: An ab Initio Study of the Radical Structures, C−H, S−H, and C−C Bond Dissociation Energies, and Transition Structures for H Abstraction by Thiyl Radicals

Journal of the American Chemical Society ◽

10.1021/ja9807789 ◽

1998 ◽

Vol 120 (34) ◽

pp. 8848-8855 ◽

Author(s):

A. Rauk ◽

D. Yu ◽

D. A. Armstrong

Keyword(s):

Oxidative Damage ◽

Ab Initio ◽

Bond Dissociation Energies ◽

Ab Initio Study ◽

Bond Dissociation ◽

Thiyl Radicals ◽

Dissociation Energies ◽

Transition Structures

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Bond dissociation energies in sulfanes: An ab initio study

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(86)80081-1 ◽

1986 ◽

Vol 137 (1-2) ◽

pp. 1-8 ◽

Author(s):

N.Colin Baird

Keyword(s):

Ab Initio ◽

Bond Dissociation Energies ◽

Ab Initio Study ◽

Bond Dissociation ◽

Dissociation Energies

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Carbon‐Carbon Bond Dissociation Energies in the Cycloalkanes

The Journal of Chemical Physics ◽

10.1063/1.1740224 ◽

1954 ◽

Vol 22 (5) ◽

pp. 945-946 ◽

Author(s):

Frank H. Seubold

Keyword(s):

Bond Dissociation Energies ◽

Carbon Bond ◽

Bond Dissociation ◽

Dissociation Energies ◽

Carbon Carbon Bond

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Carbon‐Carbon Bond Dissociation Energies in the Cycloalkanes

The Journal of Chemical Physics ◽

10.1063/1.1699318 ◽

1953 ◽

Vol 21 (9) ◽

pp. 1616-1617 ◽

Author(s):

Frank H. Seubold

Keyword(s):

Bond Dissociation Energies ◽

Carbon Bond ◽

Bond Dissociation ◽

Dissociation Energies ◽

Carbon Carbon Bond

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Structures, Vibrational Frequencies, Thermodynamic Properties, and Bond Dissociation Energies of the Bromomethanes and Bromomethyl Radicals: an Ab Initio Study

The Journal of Physical Chemistry A ◽

10.1021/jp9817628 ◽

1998 ◽

Vol 102 (30) ◽

pp. 6191-6199 ◽

Author(s):

Stephen J. Paddison ◽

Eugene Tschuikow-Roux

Keyword(s):

Thermodynamic Properties ◽

Ab Initio ◽

Vibrational Frequencies ◽

Bond Dissociation Energies ◽

Ab Initio Study ◽

Bond Dissociation ◽

Dissociation Energies

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Ab initio SCF and UMP/2 description of the N-methyl substitution effect on CH and OH bond dissociation energies in methylamine and hydroxylamine: Discrepancy with experiment

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(86)87050-6 ◽

1986 ◽

Vol 139 (3-4) ◽

pp. 333-337

Author(s):

O. Kysel' ◽

P. Mach

Keyword(s):

Ab Initio ◽

Substitution Effect ◽

Bond Dissociation Energies ◽

Methyl Substitution ◽

Bond Dissociation ◽

Dissociation Energies

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ChemInform Abstract: Effects of Electron Correlation on the Series C2HnF6-n (n = 0-6): Geometries, Total Energies, and C-C and C-H Bond Dissociation Energies.

10.1002/chin.199346040 ◽

2010 ◽

Vol 24 (46) ◽

pp. no-no

Author(s):

J. M. MARTELL ◽

R. J. BOYD ◽

Z. SHI

Keyword(s):

Electron Correlation ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies ◽

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Bond dissociation energies of HD16O (H16OD) obtained from triple resonance vibrational spectroscopy and ab initio calculations

Molecular Constants Mostly from Infrared Spectroscopy ◽

10.1007/978-3-662-49327-4_108 ◽

2016 ◽

pp. 358-358

Author(s):

G. Guelachvili ◽

N. Picqué

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Triple Resonance ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies

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Metal-carbon bond dissociation energies and enthalpies of formation for gaseous metal carbonyls

Journal of the Less Common Metals ◽

10.1016/0022-5088(78)90069-3 ◽

1978 ◽

Vol 58 (1) ◽

pp. 47-54 ◽

Author(s):

Robert G. Behrens

Keyword(s):

Enthalpies Of Formation ◽

Bond Dissociation Energies ◽

Metal Carbonyls ◽

Carbon Bond ◽

Bond Dissociation ◽

Dissociation Energies

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