scholarly journals Tunneling effects in confined gold nanoparticle hydrogenation catalysts

2019 ◽  
Vol 21 (30) ◽  
pp. 16615-16622 ◽  
Author(s):  
Leandro Luza ◽  
Aitor Gual ◽  
Jesum Alves Fernandes ◽  
Dario Eberhardt ◽  
Jairton Dupont
Keyword(s):  
Ionic Liquid ◽  
Gold Nanoparticle ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Hydrogenation Catalysts ◽  
Arrhenius Plots ◽  
Kinetic Isotope ◽  
Convex Curves

H2 activation proceeds via homolytic activation over AuNPs confined in ionic liquid hybrid supports and display high kinetic isotope effects and convex curves in the Arrhenius plots, which suggests the possible involvement of a tunneling pathway.

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

Interpretation of Transient-State Kinetic Isotope Effects†

Biochemistry ◽  
1996 ◽  
Vol 35 (1) ◽  
pp. 83-88 ◽  
Author(s):  
Harvey F. Fisher ◽  
Swapan K. Saha
Keyword(s):  
Isotope Effects ◽  
Transient State ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope ◽  
State Kinetic
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