A theoretical study of complex formation, isotope effects, and energy partitioning in the atomic oxygen(1D) + molecular hydrogen(D2, HD) reaction

Michael S. Fitzcharles; George C. Schatz

doi:10.1021/j100407a034

A theoretical study of complex formation, isotope effects, and energy partitioning in the atomic oxygen(1D) + molecular hydrogen(D2, HD) reaction

The Journal of Physical Chemistry ◽

10.1021/j100407a034 ◽

1986 ◽

Vol 90 (16) ◽

pp. 3634-3644 ◽

Cited By ~ 91

Author(s):

Michael S. Fitzcharles ◽

George C. Schatz

Keyword(s):

Complex Formation ◽

Molecular Hydrogen ◽

Atomic Oxygen ◽

Theoretical Study ◽

Isotope Effects ◽

Energy Partitioning

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ChemInform Abstract: A THEORETICAL STUDY OF DEUTERIUM ISOTOPE EFFECTS IN THE REACTIONS MOLECULAR HYDROGEN + METHYL AND ATOMIC HYDROGEN + METHANE

Chemischer Informationsdienst ◽

10.1002/chin.198417136 ◽

1984 ◽

Vol 15 (17) ◽

Author(s):

G. C. SCHATZ ◽

A. F. WAGNER ◽

T. H. JUN. DUNNING

Keyword(s):

Atomic Hydrogen ◽

Molecular Hydrogen ◽

Theoretical Study ◽

Isotope Effects ◽

Deuterium Isotope Effects

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A theoretical study of deuterium isotope effects in the reactions molecular hydrogen + methyl and atomic hydrogen + methane

The Journal of Physical Chemistry ◽

10.1021/j150646a013 ◽

1984 ◽

Vol 88 (2) ◽

pp. 221-232 ◽

Cited By ~ 58

Author(s):

George C. Schatz ◽

Albert F. Wagner ◽

Thomas H. Dunning

Keyword(s):

Atomic Hydrogen ◽

Molecular Hydrogen ◽

Theoretical Study ◽

Isotope Effects ◽

Deuterium Isotope Effects

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Energy partitioning and isotope effects in the fragmentation of triatomic negative ions: Monte Carlo scheme for a classical trajectory study

The Journal of Chemical Physics ◽

10.1063/1.433003 ◽

1976 ◽

Vol 65 (12) ◽

pp. 5453-5461 ◽

Cited By ~ 85

Author(s):

S. Goursaud ◽

M. Sizun ◽

F. Fiquet‐Fayard

Keyword(s):

Monte Carlo ◽

Isotope Effects ◽

Negative Ions ◽

Classical Trajectory ◽

Energy Partitioning

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ChemInform Abstract: ENERGY PARTITIONING IN UNIMOLECULAR DECOMPOSITION. ISOTOPE EFFECTS ON THE KINETIC ENERGY RELEASE IN THE LOSS OF HYDROGEN FROM (CH2-OH)+

Chemischer Informationsdienst ◽

10.1002/chin.197833155 ◽

1978 ◽

Vol 9 (33) ◽

Author(s):

G. J. RICKARD ◽

N. W. COLE ◽

J. R. CHRISTIE ◽

P. J. DERRICK

Keyword(s):

Kinetic Energy ◽

Energy Release ◽

Isotope Effects ◽

Kinetic Energy Release ◽

Energy Partitioning ◽

Unimolecular Decomposition

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Theoretical Study of Atomic Oxygen Adsorption on the Chlorine-Modified Ag(111) Surface

The Journal of Physical Chemistry B ◽

10.1021/jp027666v ◽

2003 ◽

Vol 107 (16) ◽

pp. 3813-3819 ◽

Cited By ~ 13

Author(s):

Lingling Jia ◽

Yun Wang ◽

Kangnian Fan

Keyword(s):

Atomic Oxygen ◽

Theoretical Study ◽

Oxygen Adsorption ◽

Atomic Oxygen Adsorption

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Theoretical study of isotope effects on the stereodynamics of H++HD and its isotopic variant D++HD

Journal of Molecular Modeling ◽

10.1007/s00894-011-0961-3 ◽

2011 ◽

Vol 17 (11) ◽

pp. 2797-2804 ◽

Cited By ~ 2

Author(s):

Junsheng Chen ◽

Luoqiu Wang

Keyword(s):

Theoretical Study ◽

Isotope Effects

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Roto-translational states of the interstitial molecular hydrogen in silicon: A theoretical study

The Journal of Chemical Physics ◽

10.1063/1.4934368 ◽

2015 ◽

Vol 143 (16) ◽

pp. 164305 ◽

Cited By ~ 3

Author(s):

Vladlen V. Melnikov ◽

Sergei N. Yurchenko

Keyword(s):

Molecular Hydrogen ◽

Theoretical Study

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Hydrogen abstractions from methyl groups by atomic oxygen. Kinetic isotope effects calculated from MNDO/UHF results and an assessment of their applicability to monooxygenase-dependent hydroxylations

The Journal of Physical Chemistry ◽

10.1021/j100229a029 ◽

1983 ◽

Vol 87 (6) ◽

pp. 1081-1085 ◽

Cited By ~ 10

Author(s):

Andrew T. Pudzianowski ◽

Gilda H. Loew

Keyword(s):

Atomic Oxygen ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Methyl Groups ◽

Kinetic Isotope

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The mechanism and regioselectivity of the ene reactions of nitroso compounds: a theoretical study of reactivity, regioselectivity, and kinetic isotope effects establishes a stepwise path involving polarized diradical intermediates

Organic & Biomolecular Chemistry ◽

10.1039/b300285c ◽

2003 ◽

Vol 1 (8) ◽

pp. 1389-1403 ◽

Cited By ~ 33

Author(s):

Andrew G. Leach ◽

K. N. Houk

Keyword(s):

Theoretical Study ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Nitroso Compounds ◽

Ene Reactions ◽

Kinetic Isotope

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Quasiclassical trajectory study of the F + H2 system. Rate constants, kinetic isotope effects and energy partitioning among reaction products

Chemical Physics ◽

10.1016/0301-0104(95)00054-r ◽

1995 ◽

Vol 195 (1-3) ◽

pp. 291-303 ◽

Cited By ~ 14

Author(s):

Efrat Rosenman ◽

Avigdor Persky

Keyword(s):

Rate Constants ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Energy Partitioning ◽

Reaction Products ◽

Kinetic Isotope

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