INVERSE INTERMOLECULAR KINETIC ISOTOPE EFFECTS IN UNIMOLECULAR REACTIONS. DIFFERENTIAL QUANTAL EFFECTS IN THE NON-EQUILIBRIUM BEHAVIOR

1961 ◽  
Vol 39 (12) ◽  
pp. 2609-2611 ◽  
Author(s):  
B. S. Rabinovitch ◽  
D. W. Setser ◽  
F. W. Schneider
Keyword(s):  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Unimolecular Reactions ◽  
Equilibrium Behavior ◽  
Kinetic Isotope ◽  
Non Equilibrium

not available

Theoretical Simulations of Heavy-Atom Kinetic Isotope Effects in Aliphatic Claisen Rearrangement

2020 ◽  
Vol 124 (51) ◽  
pp. 10678-10686
Author(s):  
Yuqing Xu ◽  
Kin-Yiu Wong ◽  
Meishan Wang ◽  
Desheng Liu ◽  
Wenkai Zhao ◽  
...  
Keyword(s):  
Claisen Rearrangement ◽  
Isotope Effects ◽  
Heavy Atom ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope ◽  
Theoretical Simulations

Direct dynamics calculations of reaction rate and kinetic isotope effects in enzyme catalysed reactions

2002 ◽  
Vol 122 ◽  
pp. 223-242 ◽  
Author(s):  
Gary Tresadern ◽  
Sara Nunez ◽  
Paul F. Faulder ◽  
Hong Wang ◽  
Ian H. Hillier ◽  
...  
Keyword(s):  
Reaction Rate ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Direct Dynamics ◽  
Kinetic Isotope
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