Radical hydrogen transfer reactions: benchmark calculations on the C2H4…H…C2H4 transition state

Chemical Physics Letters ◽

10.1016/0009-2614(95)01420-9 ◽

1996 ◽

Vol 249 (5-6) ◽

pp. 496-500 ◽

Author(s):

John D. Watts ◽

James A. Franz ◽

Rodney J. Bartlett

Keyword(s):

Transition State ◽

Hydrogen Transfer ◽

Transfer Reactions ◽

Hydrogen Transfer Reactions

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Variational Transition State Theory in the Treatment of Hydrogen Transfer Reactions

Hydrogen-Transfer Reactions ◽

10.1002/9783527611546.ch27 ◽

2007 ◽

pp. 833-874 ◽

Author(s):

Donald G. Truhlar ◽

Bruce C. Garrett

Keyword(s):

Transition State ◽

Transition State Theory ◽

Hydrogen Transfer ◽

State Theory ◽

Transfer Reactions ◽

Variational Transition State Theory ◽

Variational Transition State ◽

Hydrogen Transfer Reactions

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ChemInform Abstract: Variational Transition State Theory in the Treatment of Hydrogen Transfer Reactions

10.1002/chin.200829275 ◽

2008 ◽

Vol 39 (29) ◽

Author(s):

Donald G. Truhlar ◽

Bruce C. Garrett

Keyword(s):

Transition State ◽

Transition State Theory ◽

Hydrogen Transfer ◽

State Theory ◽

Transfer Reactions ◽

Variational Transition State Theory ◽

Variational Transition State ◽

Hydrogen Transfer Reactions

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ChemInform Abstract: Hydrogen Transfer Reactions. Part 15. The Transition State in the Dehydrogenation of Dihydroarenes by Quinones.

10.1002/chin.199021077 ◽

1990 ◽

Vol 21 (21) ◽

Author(s):

R. RADTKE ◽

H. HINTZE ◽

K. ROESLER ◽

A. HEESING

Keyword(s):

Transition State ◽

Hydrogen Transfer ◽

Transfer Reactions ◽

Hydrogen Transfer Reactions

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Transition state spectroscopy of hydrogen transfer reactions

10.1063/1.39273 ◽

1990 ◽

Author(s):

Daniel M. Neumark

Keyword(s):

Transition State ◽

Hydrogen Transfer ◽

Transfer Reactions ◽

Hydrogen Transfer Reactions

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Transition State Structures and Properties of Hydrogen Transfer Reactions of Hydrocarbons: Ab Initio Benchmark Calculations

The Journal of Physical Chemistry ◽

10.1021/j100024a011 ◽

1995 ◽

Vol 99 (24) ◽

pp. 9709-9716 ◽

Author(s):

J. A. Litwinowicz ◽

D. W. Ewing ◽

S. Jurisevic ◽

M. J. Manka

Keyword(s):

Transition State ◽

Ab Initio ◽

Hydrogen Transfer ◽

Transfer Reactions ◽

Structures And Properties ◽

Hydrogen Transfer Reactions ◽

Transition State Structures

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Elucidation of Aqueous Solvent-Mediated Hydrogen-Transfer Reactions by ab Initio Molecular Dynamics and Nudged Elastic-Band Studies of NaBH4 Hydrolysis

The Journal of Physical Chemistry C ◽

10.1021/jp507872d ◽

2014 ◽

Vol 118 (37) ◽

pp. 21385-21399 ◽

Author(s):

Ping Li ◽

Graeme Henkelman ◽

John A. Keith ◽

J. Karl Johnson

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Hydrogen Transfer ◽

Transfer Reactions ◽

Ab Initio Molecular Dynamics ◽

Elastic Band ◽

Aqueous Solvent ◽

Hydrogen Transfer Reactions

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ChemInform Abstract: Hydrogen Transfer Reactions. Part 8. Heterogeneous Catalysis of Hydrogen Transfer by Metal Oxides.

Chemischer Informationsdienst ◽

10.1002/chin.198629080 ◽

1986 ◽

Vol 17 (29) ◽

Author(s):

A. HEESING ◽

H.-J. LAUE

Keyword(s):

Heterogeneous Catalysis ◽

Metal Oxides ◽

Hydrogen Transfer ◽

Transfer Reactions ◽

Hydrogen Transfer Reactions

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Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics simulations of hydrogen transfer reactions in enzymes

The Journal of Chemical Physics ◽

10.1063/1.1356441 ◽

2001 ◽

Vol 114 (15) ◽

pp. 6925-6936 ◽

Author(s):

Salomon R. Billeter ◽

Simon P. Webb ◽

Tzvetelin Iordanov ◽

Pratul K. Agarwal ◽

Sharon Hammes-Schiffer

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Hydrogen Transfer ◽

Hybrid Approach ◽

Quantum Effects ◽

Transfer Reactions ◽

Dynamics Simulations ◽

Nuclear Quantum Effects ◽

Hydrogen Transfer Reactions

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Intramolecular hydrogen transfer reactions catalyzed by pentamethylcyclopentadienyl rhodium and cobalt olefin complexes: Mechanistic studies

10.1016/j.poly.2015.07.076 ◽

2016 ◽

Vol 103 ◽

pp. 51-57 ◽

Author(s):

Andrew D. Bolig ◽

Thomas W. Lyons ◽

Darren T. DiSalvo ◽

Maurice Brookhart

Keyword(s):

Hydrogen Transfer ◽

Transfer Reactions ◽

Mechanistic Studies ◽

Intramolecular Hydrogen ◽

Hydrogen Transfer Reactions

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Synthesis of 2,3-Anti-3,4-anti and 2,3-Anti-3,4-syn Propionate Motifs: A Diastereoselective Tandem Sequence of Mukaiyama and Free-Radical-Based Hydrogen Transfer Reactions

Organic Letters ◽

10.1021/ol025605+ ◽

2002 ◽

Vol 4 (6) ◽

pp. 1019-1022 ◽

Author(s):

Yvan Guindon ◽

Michel Prévost ◽

Philippe Mochirian ◽

Brigitte Guérin

Keyword(s):

Free Radical ◽

Hydrogen Transfer ◽

Transfer Reactions ◽

Hydrogen Transfer Reactions

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