Transition state structure, barrier height, and vibrational frequencies for the reaction Cl+CH4→CH3+HCl

Thanh N. Truong; Donald G. Truhlar; Kim K. Baldridge; Mark S. Gordon; Rozeanne Steckler

doi:10.1063/1.456244

Transition state structure, barrier height, and vibrational frequencies for the reaction Cl+CH4→CH3+HCl

The Journal of Chemical Physics ◽

10.1063/1.456244 ◽

1989 ◽

Vol 90 (12) ◽

pp. 7137-7142 ◽

Cited By ~ 71

Author(s):

Thanh N. Truong ◽

Donald G. Truhlar ◽

Kim K. Baldridge ◽

Mark S. Gordon ◽

Rozeanne Steckler

Keyword(s):

Transition State ◽

Barrier Height ◽

Vibrational Frequencies ◽

State Structure ◽

Transition State Structure

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Near Threshold Photochemistry of Propanal. Barrier Height, Transition State Structure, and Product State Distributions for the HCO Channel

The Journal of Physical Chemistry A ◽

10.1021/jp025590x ◽

2002 ◽

Vol 106 (24) ◽

pp. 5817-5827 ◽

Cited By ~ 18

Author(s):

Gregory F. Metha ◽

Andrew C. Terentis ◽

Scott H. Kable

Keyword(s):

Transition State ◽

Barrier Height ◽

Product State ◽

State Structure ◽

Transition State Structure ◽

Near Threshold

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ChemInform Abstract: Temperature Dependence of the Transition-State Structure for the Disproportionation of Hydrogen Atom with Ethyl Radical.

Chemischer Informationsdienst ◽

10.1002/chin.198603102 ◽

1986 ◽

Vol 17 (3) ◽

Author(s):

C. JUN. DOUBLEDAY ◽

J. MCIVER ◽

M. PAGE ◽

T. ZIELINSKI

Keyword(s):

Hydrogen Atom ◽

Transition State ◽

Temperature Dependence ◽

State Structure ◽

Transition State Structure ◽

Ethyl Radical

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ChemInform Abstract: INFLUENCE OF THE STERIC REQUIREMENTS OF THE NUCLEOPHILE ON THE TRANSITION STATE STRUCTURE OF E2 REACTIONS. A KINETIC STUDY OF THE ELIMINATIONS FROM 1-BROMO-2-ARYLETHANES AND 1-CHLORO-1-PHENYL-2-ARYLETHANES PROMOTED BY SODIUM 2,6-DI-TE

Chemischer Informationsdienst ◽

10.1002/chin.197843071 ◽

1978 ◽

Vol 9 (43) ◽

Author(s):

S. ALUNNI ◽

E. BACIOCCHI ◽

P. PERUCCI ◽

R. RUZZICONI

Keyword(s):

Transition State ◽

Kinetic Study ◽

State Structure ◽

Transition State Structure

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A Semiempirical Transition State Structure for the First Step in the Alkaline Hydrolysis of Cocaine. Comparison between the Transition State Structure, the Phosphonate Monoester Transition State Analog, and a Newly Designed Thiophosphonate Transition State Analog

Journal of Molecular Modeling ◽

10.1007/s0089460020062 ◽

1996 ◽

Vol 2 (3-4) ◽

pp. 62-69 ◽

Cited By ~ 12

Author(s):

Edward C. Sherer ◽

Gordon M. Turner ◽

Tricia N. Lively ◽

Donald W. Landry ◽

George C. Shields

Keyword(s):

Transition State ◽

Alkaline Hydrolysis ◽

State Structure ◽

Transition State Structure ◽

Transition State Analog ◽

Hydrolysis Of

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Rearrangement of chorismate to prephenate. Use of chorismate mutase inhibitors to define the transition state structure

Biochemistry ◽

10.1021/bi00641a015 ◽

1977 ◽

Vol 16 (22) ◽

pp. 4848-4852 ◽

Cited By ~ 44

Author(s):

P. R. Andrews ◽

E. N. Cain ◽

E. Rizzardo ◽

G. D. Smith

Keyword(s):

Transition State ◽

Chorismate Mutase ◽

State Structure ◽

Transition State Structure

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Conservation of Transition State Structure in Fast Folding Peripheral Subunit-Binding Domains

Journal of Molecular Biology ◽

10.1016/j.jmb.2008.06.081 ◽

2008 ◽

Vol 383 (1) ◽

pp. 224-237 ◽

Cited By ~ 17

Author(s):

Timothy D. Sharpe ◽

Neil Ferguson ◽

Christopher M. Johnson ◽

Alan R. Fersht

Keyword(s):

Transition State ◽

State Structure ◽

Transition State Structure ◽

Binding Domains

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Transition-state structure as a unifying basis in protein-folding mechanisms: Contact order, chain topology, stability, and the extended nucleus mechanism

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.97.4.1525 ◽

2000 ◽

Vol 97 (4) ◽

pp. 1525-1529 ◽

Cited By ~ 235

Author(s):

A. R. Fersht

Keyword(s):

Protein Folding ◽

Transition State ◽

State Structure ◽

Transition State Structure ◽

Contact Order

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Cross interaction constants as a measure of transition state structure. Part 7. Aminolysis of alkyl benzenesulphonates

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29890001881 ◽

1989 ◽

pp. 1881 ◽

Cited By ~ 9

Author(s):

Ikchoon Lee ◽

Young Hoon Choi ◽

Keun Woo Rhyu ◽

Chang Sub Shim

Keyword(s):

Transition State ◽

State Structure ◽

Transition State Structure

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ChemInform Abstract: Transition State Structure Variation in the Diels-Alder Reaction from Secondary Deuterium Kinetic Isotope Effects: The Reaction of a Nearly Symmetrical Diene and Dienophile Is Nearly Synchronous.

ChemInform ◽

10.1002/chin.198750089 ◽

1987 ◽

Vol 18 (50) ◽

Author(s):

J. J. GAJEWSKI ◽

K. B. PETERSON ◽

J. R. KAGEL

Keyword(s):

Transition State ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Alder Reaction ◽

Diels Alder ◽

State Structure ◽

Transition State Structure ◽

Structure Variation ◽

Kinetic Isotope ◽

Diels Alder Reaction

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Kinetic and Mechanistic Studies on Quinuclidinolysis of Y-substituted-Phenyl Picolinates: Effect of Amine Nature on Reactivity and Transition-State Structure

Bulletin of the Korean Chemical Society ◽

10.1002/bkcs.10272 ◽

2015 ◽

Vol 36 (5) ◽

pp. 1405-1410 ◽

Cited By ~ 1

Author(s):

Ik-Hwan Um ◽

Min-Young Kim ◽

Yeseul Kang

Keyword(s):

Transition State ◽

Mechanistic Studies ◽

State Structure ◽

Transition State Structure

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