Thermodynamics and Kinetics of Methylboroxine·Amine Adduct Formation:  A Computational Study

2007 ◽  
Vol 111 (22) ◽  
pp. 4759-4766 ◽  
Author(s):  
Jeremy Kua ◽  
Charles R. Gyselbrecht
Keyword(s):  
Computational Study ◽  
Adduct Formation ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of

Theoretical–computational modelling of the temperature dependence of the folding–unfolding thermodynamics and kinetics: the case of a Trp-cage

2019 ◽  
Vol 21 (41) ◽  
pp. 23162-23168
Author(s):  
Marco D'Abramo ◽  
Sara Del Galdo ◽  
Andrea Amadei
Keyword(s):  
Temperature Dependence ◽  
Computational Study ◽  
Computational Modelling ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of ◽  
Unfolding Thermodynamics

Here we present a theoretical–computational study of the thermodynamics and kinetics of an aqueous Trp-cage, a 20-residue long miniprotein.

A computational study on Pt and Ru dimers supported on graphene for the hydrogen evolution reaction: new insight into the alkaline mechanism

2019 ◽  
Vol 7 (8) ◽  
pp. 3648-3654 ◽  
Author(s):  
Xin Liu ◽  
Yan Jiao ◽  
Yao Zheng ◽  
Kenneth Davey ◽  
Shi-Zhang Qiao
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Computational Study ◽  
Dissociative Chemisorption ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of ◽  
Insight Into ◽  
Chemisorption Energy

The dissociative chemisorption energy of water was proposed to address both thermodynamics and kinetics of alkaline hydrogen evolution.

Thermodynamics and Kinetics of Methylglyoxal Dimer Formation: A Computational Study

2009 ◽  
Vol 113 (25) ◽  
pp. 6994-7001 ◽  
Author(s):  
Hadley E. Krizner ◽  
David O. De Haan ◽  
Jeremy Kua
Keyword(s):  
Computational Study ◽  
Dimer Formation ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of
Sign in / Sign up

Export Citation Format

Share Document