Calculation of heavy‐atom kinetic isotope effects: Barrier curvature and internal coordinate effects with three‐element reaction coordinates

1974 ◽  
Vol 60 (9) ◽  
pp. 3619-3633 ◽  
Author(s):  
G.‐J. Wei ◽  
Peter E. Yankwich
Keyword(s):  
Isotope Effects ◽  
Heavy Atom ◽  
Kinetic Isotope Effects ◽  
Reaction Coordinates ◽  
Kinetic Isotope

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

scholarly journals Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular12C/13C Kinetic Isotope Effects

2010 ◽  
Vol 132 (36) ◽  
pp. 12548-12549 ◽  
Author(s):  
Ollie M. Gonzalez-James ◽  
Xue Zhang ◽  
Ayan Datta ◽  
David A. Hrovat ◽  
Weston Thatcher Borden ◽  
...  
Keyword(s):  
Experimental Evidence ◽  
Ring Opening ◽  
Isotope Effects ◽  
Heavy Atom ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope
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