Gas-phase oxygenation of benzene derivatives around 300 K with O(3P) atoms produced by microwave discharge of N2O. Part 2. Kinetic H/D isotope effects

2010 ◽  
Vol 109 (5) ◽  
pp. 346-352 ◽  
Author(s):  
Veronica M. Sol ◽  
Robert Louw ◽  
Peter Mulder
Keyword(s):  
Gas Phase ◽  
Microwave Discharge ◽  
Isotope Effects ◽  
Benzene Derivatives

A stepwise mechanism for gas-phase unimolecular ion decompositions. Isotope effects in the fragmentation of tert-butoxide anion

1987 ◽  
Vol 109 (4) ◽  
pp. 961-970 ◽  
Author(s):  
William Tumas ◽  
Robert F. Foster ◽  
Mark J. Pellerite ◽  
John I. Brauman
Keyword(s):  
Gas Phase ◽  
Isotope Effects ◽  
Stepwise Mechanism

Gas Phase Oxygenation of Benzene Derivatives with O(3P) Atoms Produced by MD of N2O

1988 ◽  
pp. 135-136
Author(s):  
Veronica M. Sol ◽  
Robert Louw ◽  
Peter Mulder
Keyword(s):  
Gas Phase ◽  
Benzene Derivatives

Full-dimensional analytical potential energy surface describing the gas-phase Cl + C2H6 reaction and kinetics study of rate constants and kinetic isotope effects

2018 ◽  
Vol 20 (6) ◽  
pp. 3925-3938 ◽  
Author(s):  
Cipriano Rangel ◽  
Joaquin Espinosa-Garcia
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Gas Phase ◽  
Energy Surface ◽  
Isotope Effects ◽  
Hydrogen Abstraction ◽  
System P ◽  
Abstraction Reaction ◽  
Analytical Potential ◽  
Oppenheimer Approximation

Within the Born–Oppenheimer approximation a full-dimensional analytical potential energy surface, PES-2017, was developed for the gas-phase hydrogen abstraction reaction between the chlorine atom and ethane, which is a nine body system.

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