Ab Initio Chemical Kinetics of Methyl Formate Decomposition: The Simplest Model Biodiesel

2010 ◽  
Vol 114 (17) ◽  
pp. 5478-5484 ◽  
Author(s):  
Wayne K. Metcalfe ◽  
John M. Simmie ◽  
Henry J. Curran
Keyword(s):  
Ab Initio ◽  
Chemical Kinetics ◽  
Methyl Formate ◽  
Kinetics Of ◽  
Formate Decomposition

Ab initio chemical kinetics of the CH2OO + C2F4 reaction

2018 ◽  
Vol 706 ◽  
pp. 280-284 ◽  
Author(s):  
Tam V.-T. Mai ◽  
Minh v. Duong ◽  
Hieu T. Nguyen ◽  
Kuang C. Lin ◽  
Lam K. Huynh
Keyword(s):  
Ab Initio ◽  
Chemical Kinetics ◽  
Kinetics Of

Dynamics and kinetics of the Si(1D) + H2/D2 reactions on a new global ab initio potential energy surface

2021 ◽  
Vol 23 (10) ◽  
pp. 6141-6153
Author(s):  
Jianwei Cao ◽  
Yanan Wu ◽  
Haitao Ma ◽  
Zhitao Shen ◽  
Wensheng Bian
Keyword(s):  
Molecular Dynamics ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Quantum Dynamics ◽  
Energy Surface ◽  
Molecular Dynamics Calculations ◽  
Ring Polymer ◽  
Ring Polymer Molecular Dynamics ◽  
Kinetics Of

Quantum dynamics and ring polymer molecular dynamics calculations reveal interesting dynamical and kinetic behaviors of an endothermic complex-forming reaction.

CHEMICAL KINETICS OF WEATHERING IN YOUNG ANDISOLS FROM NORTHEASTERN JAPAN USING SOIL AGE NORMALIZED TO 10°C

Soil Science ◽  
1993 ◽  
Vol 155 (1) ◽  
pp. 53-60 ◽  
Author(s):  
SADAO SHOJI ◽  
MASAMI NANZYO ◽  
YASUHITO SHIRATO ◽  
TOYOAKI ITO
Keyword(s):  
Chemical Kinetics ◽  
Northeastern Japan ◽  
Soil Age ◽  
Kinetics Of

Ab initio studies on the decomposition kinetics of CF3OCF2O radical

2010 ◽  
Vol 17 (3) ◽  
pp. 415-422 ◽  
Author(s):  
Hari Ji Singh ◽  
Bhupesh Kumar Mishra
Keyword(s):  
Ab Initio ◽  
Decomposition Kinetics ◽  
Kinetics Of
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