喵ID：96stmy
Theoretical and Shock Tube Study of the Rate Constants for Hydrogen Abstraction Reactions of Ethyl Formate. Theoretical and Shock Tube Study of the Rate Constants for Hydrogen Abstraction Reactions of Ethyl Formate.
Theoretical and Shock Tube Study of the Rate Constants for Hydrogen Abstraction Reactions of Ethyl Formate.
Theoretical and Shock Tube Study of the Rate Constants for Hydrogen Abstraction Reactions of Ethyl Formate.甲酸乙酯夺氢反应速率常数的理论和激波管研究。
基本信息
DOI：
10.1021/acs.jpca.7b06119
10.1021/acs.jpca.7b06119发表时间：
2017-08
2017-08影响因子：
2.9
2.9通讯作者：
Ren Wei
Ren Wei中科院分区：
化学3区
化学3区文献类型：
--
-- 作者： Wu Junjun;Khaled Fethi;Ning Hongbo;Ma Liuhao;Farooq Aamir;Ren Wei
研究方向： --
MeSH主题词： --
关键词： --
来源链接：pubmed详情页地址
文献摘要
We report a systematic chemical kinetics study of the H atom abstractions from ethyl formate (EF) by H, O(3P), CH3, OH, and HO2 radicals. The geometry optimization and frequency calculation of all the species were conducted using the M06 method and the cc
我们报道了一项关于H、O(³P)、CH₃、OH和HO₂自由基从甲酸乙酯（EF）中夺取H原子的系统化学动力学研究。所有物质的几何结构优化和频率计算均使用M06方法和cc（此处“cc”可能是某种基组未完整表述）进行。
参考文献（42）
被引文献（20）
Combustion chemical kinetics of biodiesel and related compounds (methyl and ethyl esters): Experiments and modeling – Advances and future refinements
Combustion chemical kinetics of biodiesel and related compounds (methyl and ethyl esters): Experiments and modeling – Advances and future refinementsDOI：
10.1016/j.pecs.2013.03.002
10.1016/j.pecs.2013.03.002发表时间：
2013-08
2013-08影响因子：
29.5
29.5作者：
L. Coniglio;Hayet Bennadji;P. Glaude;Olivier;Herbinet;Francis Billaud
L. Coniglio;Hayet Bennadji;P. Glaude;Olivier;Herbinet;Francis Billaud通讯作者：
L. Coniglio;Hayet Bennadji;P. Glaude;Olivier;Herbinet;Francis Billaud
L. Coniglio;Hayet Bennadji;P. Glaude;Olivier;Herbinet;Francis BillaudExtended benchmark studies of coupled cluster theory through triple excitations
Extended benchmark studies of coupled cluster theory through triple excitationsDOI：
10.1063/1.1388045
10.1063/1.1388045发表时间：
2001-08-22
2001-08-22影响因子：
4.4
4.4作者：
Feller, D;Dixon, DA
Feller, D;Dixon, DA通讯作者：
Dixon, DA
Dixon, DAThe arrhenius factors for some six‐center unimolecular reactions
The arrhenius factors for some six‐center unimolecular reactionsDOI：
10.1002/kin.550030210
10.1002/kin.550030210发表时间：
1971-03
1971-03影响因子：
1.5
1.5作者：
A. Blades;H. S. Sandhu
A. Blades;H. S. Sandhu通讯作者：
A. Blades;H. S. Sandhu
A. Blades;H. S. SandhuAb Initio MP2 and DFT Study of the Thermal Syn Elimination Reaction in Ethyl Formate
Ab Initio MP2 and DFT Study of the Thermal Syn Elimination Reaction in Ethyl FormateDOI：
10.1021/jp027509w
10.1021/jp027509w发表时间：
2003-02
2003-02影响因子：
2.9
2.9作者：
J. Hermida-Ramón;J. Rodríguez-Otero;E. Cabaleiro-Lago
J. Hermida-Ramón;J. Rodríguez-Otero;E. Cabaleiro-Lago通讯作者：
J. Hermida-Ramón;J. Rodríguez-Otero;E. Cabaleiro-Lago
J. Hermida-Ramón;J. Rodríguez-Otero;E. Cabaleiro-LagoHigh-Temperature Measurements of the Rate Constants for Reactions of OH with a Series of Large Normal Alkanes: n-Pentane, n-Heptane, and n-Nonane
High-Temperature Measurements of the Rate Constants for Reactions of OH with a Series of Large Normal Alkanes: n-Pentane, n-Heptane, and n-NonaneDOI：
10.1524/zpch.2011.0156
10.1524/zpch.2011.0156发表时间：
2011-12
2011-12影响因子：
0
0作者：
G. Pang;R. Hanson;D. Golden;C. Bowman
G. Pang;R. Hanson;D. Golden;C. Bowman通讯作者：
G. Pang;R. Hanson;D. Golden;C. Bowman
G. Pang;R. Hanson;D. Golden;C. Bowman共 42 条
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关联基金
利用中红外TDLAS技术研究生物柴油激波管燃烧反应动力学
批准号：
11502222
11502222批准年份：
2015
2015资助金额：
20.0
20.0项目类别：
青年科学基金项目
青年科学基金项目