Anab InitioComputational Molecular Orbital Study of Radical, Protonated Radical (Radical Cation), and Carbocation Species That Have Been Proposed in Mechanisms for the Transfer Process in the Enzyme−Coenzyme B12-Catalyzed Dehydration of 1,2-Dihydroxyethane

Philip George; Jenny P. Glusker; Charles W. Bock

doi:10.1021/ja963424v

Anab InitioComputational Molecular Orbital Study of Radical, Protonated Radical (Radical Cation), and Carbocation Species That Have Been Proposed in Mechanisms for the Transfer Process in the Enzyme−Coenzyme B12-Catalyzed Dehydration of 1,2-Dihydroxyethane

Journal of the American Chemical Society ◽

10.1021/ja963424v ◽

1997 ◽

Vol 119 (30) ◽

pp. 7065-7074 ◽

Cited By ~ 14

Author(s):

Philip George ◽

Jenny P. Glusker ◽

Charles W. Bock

Keyword(s):

Molecular Orbital ◽

Radical Cation ◽

Transfer Process ◽

Coenzyme B12 ◽

Molecular Orbital Study ◽

Orbital Study

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Synthesis, X-ray structure and Molecular Orbital study of a radical cation salt of a S-position isomer of an EDT-TTF derivative: C.l3 where C = 6, 7-dimethylsulfanyl-2,3-(dithiabutane-1,4-diyl)tetrathiafulvalene

Molecular Crystals and Liquid Crystals Science and Technology Section A Molecular Crystals and Liquid Crystals ◽

10.1080/10587250008024420 ◽

2000 ◽

Vol 338 (1) ◽

pp. 61-74 ◽

Cited By ~ 3

Author(s):

Soazig Le Moustarder ◽

Piétrick Hudhomme ◽

Bertrand Illien ◽

Jean-françois Halet ◽

Alain Gorgues ◽

...

Keyword(s):

Molecular Orbital ◽

Radical Cation ◽

X Ray ◽

Position Isomer ◽

Radical Cation Salt ◽

Molecular Orbital Study ◽

Orbital Study

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An ab initio molecular orbital study of the CH2O+− isomers: The stability of the hydroxymethylene radical cation

International Journal of Mass Spectrometry and Ion Physics ◽

10.1016/0020-7381(80)80038-6 ◽

1980 ◽

Vol 33 (1) ◽

pp. 87-93 ◽

Cited By ~ 19

Author(s):

Willem J. Bouma ◽

John K. Macleod ◽

Leo Radom

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Radical Cation ◽

Molecular Orbital Study ◽

Orbital Study ◽

The Stability

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Molecular orbital study of coenzyme B12. Activation of the cobalt-carbon bond by angular distortions

Inorganic Chemistry ◽

10.1021/ic00272a012 ◽

1987 ◽

Vol 26 (25) ◽

pp. 4194-4197 ◽

Cited By ~ 21

Author(s):

Longgen Zhu ◽

Nenad M. Kostic

Keyword(s):

Molecular Orbital ◽

Coenzyme B12 ◽

Carbon Bond ◽

Molecular Orbital Study ◽

Orbital Study

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ChemInform Abstract: SEMI-EMPIRICAL MOLECULAR ORBITAL STUDY OF THE DIBORONTETRAHYDRIDE MOLECULE

Chemischer Informationsdienst ◽

10.1002/chin.197817007 ◽

1978 ◽

Vol 9 (17) ◽

Author(s):

M. K. DATTA ◽

R. DATTA

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semi Empirical

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ChemInform Abstract: MOLECULAR ORBITAL STUDY OF SUBSTITUTED TRIMETHYLENEMETHANE-BIS(PHOSPHINE)PALLADIUM COMPLEXES

Chemischer Informationsdienst ◽

10.1002/chin.198201084 ◽

1982 ◽

Vol 13 (1) ◽

Author(s):

D. J. GORDON ◽

R. F. FENSKE ◽

T. N. NANNINGA ◽

B. M. TROST

Keyword(s):

Molecular Orbital ◽

Palladium Complexes ◽

Molecular Orbital Study ◽

Orbital Study

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Molecular Orbital Study on Quartet Molecules with Trigonal Axis of Symmetry

Molecular Crystals and Liquid Crystals Science and Technology Section A Molecular Crystals and Liquid Crystals ◽

10.1080/10587259308035722 ◽

1993 ◽

Vol 232 (1) ◽

pp. 323-332 ◽

Cited By ~ 9

Author(s):

Kazunari Yoshizawa ◽

Masashi Hatanaka ◽

Akihiro Ito ◽

Kazuyoshi Tanaka ◽

Tokio Yamabe

Keyword(s):

Molecular Orbital ◽

Trigonal Axis ◽

Molecular Orbital Study ◽

Orbital Study ◽

Axis Of Symmetry

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ChemInform Abstract: AN AB INITIO MOLECULAR ORBITAL STUDY OF STRUCTURES AND ENERGIES OF SPIRO COMPOUNDS- SPIROPENTANE, SPIROPENTENE, SPIROPENTADIENE, SPIRO(2.4)HEPTA-4,6-DIENE, SPIRO(2.4)HEPTATRIENE, AND SPIRO(4.4)NONATETRAENE

Chemischer Informationsdienst ◽

10.1002/chin.197820069 ◽

1978 ◽

Vol 9 (20) ◽

Author(s):

J. KAO ◽

L. RADOM

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Spiro Compounds ◽

Molecular Orbital Study ◽

Orbital Study

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ChemInform Abstract: MOLECULAR ORBITAL STUDY OF SULFUR-NITROGEN AND SULFUR-CARBON CONJUGATION: MODE OF BONDING IN (SN)X AND RELATED COMPOUNDS

Chemischer Informationsdienst ◽

10.1002/chin.198104063 ◽

1981 ◽

Vol 12 (4) ◽

Author(s):

R. C. HADDON ◽

S. R. WASSERMAN ◽

F. WUDL ◽

G. R. WILLIAMS

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

Related Compounds

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Molecular orbital study on the interaction between coenzymes and enzymes; NAD+ or NADH and dehydrogenases

Journal of Theoretical Biology ◽

10.1016/0022-5193(74)90137-4 ◽

1974 ◽

Vol 46 (1) ◽

pp. 1-19 ◽

Cited By ~ 2

Author(s):

Hideaki Umeyama ◽

Akira Imamura ◽

Chikayoshi Nagata

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study

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A molecular orbital study of the interactions of acrylic polymers with aluminum: Implications for adhesion

Journal of Polymer Science Part A Polymer Chemistry ◽

10.1002/pola.1990.080281201 ◽

1990 ◽

Vol 28 (12) ◽

pp. 3185-3219 ◽

Cited By ~ 28

Author(s):

Arup K. Chakraborty ◽

H. Ted Davis ◽

Matthew Tirrell

Keyword(s):

Molecular Orbital ◽

Acrylic Polymers ◽

Molecular Orbital Study ◽

Orbital Study

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