Corrigendum to “New constraints on kinetic isotope effects during CO2(aq) hydration and hydroxylation: Revisiting theoretical and experimental data” [Geochim. Cosmochim. Acta 214 (2017) 246–265]

2018 ◽  
Vol 225 ◽  
pp. 237-240 ◽  
Author(s):  
Ziv Sade ◽  
Itay Halevy
Keyword(s):  
Experimental Data ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope

scholarly journals Inverse kinetic isotope effects in the charge transfer reactions of ammonia with rare gas ions

2021 ◽  
Author(s):  
Andriana Tsikritea ◽  
Kibum Park ◽  
Paul Bertier ◽  
Jérôme Loreau ◽  
Timothy P Softley ◽  
...  
Keyword(s):  
Experimental Data ◽  
Charge Transfer ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Data Models ◽  
Transfer Reactions ◽  
Rare Gas ◽  
Complex Chemical ◽  
Kinetic Isotope ◽  
Charge Transfer Reactions

In the absence of experimental data, models of complex chemical environments rely on predicted reaction properties. Astrochemistry models, for example, typically adopt variants of capture theory to estimate the reactivity...

Calculation of kinetic isotope effects in formation of carbon dioxide from a diester of oxalic acid

1967 ◽  
Vol 45 (24) ◽  
pp. 3045-3047 ◽  
Author(s):  
J. Warkentin ◽  
D. M. Singleton
Keyword(s):  
Experimental Data ◽  
Carbon Dioxide ◽  
Oxalic Acid ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Isotopic Abundance ◽  
Partial Decomposition ◽  
Kinetic Isotope

Equations for the calculation of isotope effects (k12/k13 and k16/k18) in the concerted twobond thermolysis of oxalates are presented. The equations are developed for material of low isotopic abundance such that the presence of doubly labelled molecules can be ignored. No assumption is made about the distribution of 18O between the carbonyl and ether functions, other than that the distribution is known. The experimental data required are the ratios CO246/CO244, and CO245/CO244, corrected for the presence of 17O and 14C, in the CO2 obtained from partial decomposition and in the CO2 from total decomposition and the fractional extent of reaction.

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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