Decomposition Mechanism of Ethylene Carbonate and Fluoroethylene Carbonate through Hydrogen Abstraction under High Voltage Environment: An Ab-Initio Study

2014 ◽  
Vol 161 (10) ◽  
pp. A1527-A1533 ◽  
Author(s):  
Yasuharu Okamoto
Keyword(s):  
Ab Initio ◽  
High Voltage ◽  
Hydrogen Abstraction ◽  
Ethylene Carbonate ◽  
Decomposition Mechanism ◽  
Ab Initio Study ◽  
Fluoroethylene Carbonate

Ab Initio Study on the Kinetics of Hydrogen Abstraction for the H + Alkene → H2+ Alkenyl Reaction Class

2007 ◽  
Vol 111 (11) ◽  
pp. 2156-2165 ◽  
Author(s):  
Lam K. Huynh ◽  
Sylwester Panasewicz ◽  
Artur Ratkiewicz ◽  
Thanh N. Truong
Keyword(s):  
Ab Initio ◽  
Hydrogen Abstraction ◽  
Ab Initio Study ◽  
Kinetics Of

scholarly journals Ab initio study of Li, Mg and Al insertion into rutile VO2: fast diffusion and enhanced voltages for multivalent batteries

2017 ◽  
Vol 19 (33) ◽  
pp. 22538-22545 ◽  
Author(s):  
Vadym V. Kulish ◽  
Daniel Koch ◽  
Sergei Manzhos
Keyword(s):  
Ab Initio ◽  
High Voltage ◽  
Fast Diffusion ◽  
Ab Initio Study ◽  
Storage Mechanism

We present a promising rutile VO2 cathode with fast diffusion, high voltage and a novel storage mechanism.

Ab initio study of hydrogen abstraction by triplet cyclopropylidene and planar triplet allene

1991 ◽  
Vol 56 (22) ◽  
pp. 6377-6379 ◽  
Author(s):  
William C. Shakespeare ◽  
Richard P. Johnson
Keyword(s):  
Ab Initio ◽  
Hydrogen Abstraction ◽  
Ab Initio Study

Ab initio study of the hydrogen abstraction reaction H2O2+OH→HO2+H2O

2003 ◽  
Vol 664-665 ◽  
pp. 229-236 ◽  
Author(s):  
M Bahri ◽  
Y Tarchouna ◽  
N Jaı̈dane ◽  
Z Ben Lakhdar ◽  
J.P Flament
Keyword(s):  
Ab Initio ◽  
Hydrogen Abstraction ◽  
Ab Initio Study ◽  
Abstraction Reaction ◽  
Hydrogen Abstraction Reaction
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