HO + CO Reaction Rates and H/D Kinetic Isotope Effects: Master Equation Models with ab Initio SCTST Rate Constants

2013 ◽  
Vol 117 (5) ◽  
pp. 821-835 ◽  
Author(s):  
Ralph E. Weston ◽  
Thanh Lam Nguyen ◽  
John F. Stanton ◽  
John R. Barker
Keyword(s):  
Ab Initio ◽  
Master Equation ◽  
Rate Constants ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Reaction Rates ◽  
Kinetic Isotope

Ab initio predictions and experimental confirmation of large tunneling contributions to rate constants and kinetic isotope effects for hydrogen atom transfer reactions

1986 ◽  
Vol 108 (12) ◽  
pp. 3515-3516 ◽  
Author(s):  
Bruce C. Garrett ◽  
Donald G. Truhlar ◽  
Joel M. Bowman ◽  
Albert F. Wagner ◽  
Daniel. Robie ◽  
...  
Keyword(s):  
Hydrogen Atom ◽  
Ab Initio ◽  
Rate Constants ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Hydrogen Atom Transfer ◽  
Experimental Confirmation ◽  
Transfer Reactions ◽  
Atom Transfer ◽  
Kinetic Isotope

An ab initio approach to organic reaction rates. Kinetic isotope effects in the reaction H + C2H4 .fwdarw. C2H5

1979 ◽  
Vol 101 (19) ◽  
pp. 5849-5851 ◽  
Author(s):  
Shigeru Nagase ◽  
Takayuki Fueno ◽  
Keiji Morokuma
Keyword(s):  
Ab Initio ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Reaction Rates ◽  
Organic Reaction ◽  
Kinetic Isotope ◽  
Ab Initio Approach

A Theoretical Analysis of Rate Constants and Kinetic Isotope Effects Corresponding to Different Reactant Valleys in Lactate Dehydrogenase

2006 ◽  
Vol 128 (51) ◽  
pp. 16851-16863 ◽  
Author(s):  
Silvia Ferrer ◽  
Iñaki Tuñón ◽  
Sergio Martí ◽  
Vicente Moliner ◽  
Mireia Garcia-Viloca ◽  
...  
Keyword(s):  
Lactate Dehydrogenase ◽  
Theoretical Analysis ◽  
Rate Constants ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope
Sign in / Sign up

Export Citation Format

Share Document