Theoretical study of transition state structure and reaction enthalpy of the F+H2→HF+H reaction by a diffusion quantum Monte Carlo approach

2005 ◽  
Vol 122 (19) ◽  
pp. 194323 ◽  
Author(s):  
Shih-I Lu
Keyword(s):  
Monte Carlo ◽  
Transition State ◽  
Quantum Monte Carlo ◽  
Theoretical Study ◽  
State Structure ◽  
Transition State Structure ◽  
Reaction Enthalpy ◽  
Monte Carlo Approach

Rearrangement of chorismate to prephenate. Use of chorismate mutase inhibitors to define the transition state structure

Biochemistry ◽  
1977 ◽  
Vol 16 (22) ◽  
pp. 4848-4852 ◽  
Author(s):  
P. R. Andrews ◽  
E. N. Cain ◽  
E. Rizzardo ◽  
G. D. Smith
Keyword(s):  
Transition State ◽  
Chorismate Mutase ◽  
State Structure ◽  
Transition State Structure

Conservation of Transition State Structure in Fast Folding Peripheral Subunit-Binding Domains

2008 ◽  
Vol 383 (1) ◽  
pp. 224-237 ◽  
Author(s):  
Timothy D. Sharpe ◽  
Neil Ferguson ◽  
Christopher M. Johnson ◽  
Alan R. Fersht
Keyword(s):  
Transition State ◽  
State Structure ◽  
Transition State Structure ◽  
Binding Domains

scholarly journals A Quantum Monte Carlo Approach to the Adiabatic Connection Method

1998 ◽  
pp. 189-207 ◽  
Author(s):  
Maziar Nekovee ◽  
W.M.C. Foulkes ◽  
A.J. Williamson ◽  
G. Rajagopal ◽  
R.J. Needs
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Monte Carlo Approach ◽  
Connection Method
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