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Calculations of Rate Coefficients for the Chemically Activated Reactions ofAcetylene with Vinylic and Aromatic Radicals

机译：乙炔与乙烯基和芳香自由基化学活化反应速率系数的计算

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Semiempirical quantum mechanical AM1 calculations were performed for the

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Wang, H.; Frenklach, M.;
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年度 1994
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总页数 26
原文格式 PDF
正文语种 eng
中图分类工业技术;
关键词
Rates; Coefficients; Acetylene; Aromatic compounds; Vinyl radicals; Reprints; Activation; Experimental data; Benzene; Computations; Models; Parameters; Quantum theory; Reaction time; Combustion; Chemical reactions; Organic compounds; Hypotheses; Phenyl ra;

机译：比率;系数;乙炔;芳香族化合物;乙烯基;重印;活化;实验数据;苯;计算;模型;参数;量子理论;反应时间;燃烧;化学反应;有机化合物;假设;苯基;

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1. The Atmospherically Important Reaction of Hydroxyl Radicals with Methyl Nitrate: A Theoretical Study Involving the Calculation of Reaction Mechanisms, Enthalpies, Activation Energies, and Rate Coefficients [J] . Ng Maggie, Mok Daniel K. W., Lee Edmond P. F., The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2017,第35期

机译：硝酸甲酯的羟基自由基的大气重要反应：涉及计算反应机制，焓，激活能量和速率系数的理论研究
2. Rate coefficients for cycloalkyl + O reactions and product branching in the decomposition of chemically activated cycloalkoxy radicals:an experimental and theoretical study [J] . Karlheinz Hoyermann, Sven Maarfeld, Frank Nacke Physical chemistry chemical physics: PCCP . 2010,第31期

机译：基础烷基+ O反应和产物分支在化学活化环烷氧基自由基分解中的速率系数：实验与理论研究
3. Rate coefficients for the reactions of OH radicals with the keto/enol tautomers of 2,4-pentanedione and 3-methyl-2,4-pentanedione, allyl alcohol and methyl vinyl ketone using the enols and methyl nitrite as photolytic sources of OH [J] . Holloway AL, Treacy J, Sidebottom H, Journal of Photochemistry and Photobiology, A. Chemistry . 2005,第1a3期

机译：使用烯醇和亚硝酸甲酯作为OH的光解源，OH自由基与2,4-戊二酮和3-甲基-2,4-戊二酮，烯丙醇和甲基乙烯基酮的酮/烯醇互变异构体反应的速率系数
4. Temperature and pressure dependent rate coefficients for the reaction of vinyl radical with molecular oxygen [C] . C. Franklin Goldsmith, Lawrence B. Harding, James A. Miller, US National Combustion Meeting . 2013

机译：用分子氧的乙烯基反应的温度和压力依赖性速率系数
5. MECHANISTIC STUDIES OF THE S(RN)1 MECHANISM FOR AROMATIC SUBSTITUTION: 1. SPECTROSCOPY AND KINETICS OF ELECTRON CAPTURE BY AROMATIC SUBSTRATES, 2. ABSOLUTE RATE CONSTANTS FOR REACTIONS OF PHENYL RADICAL WITH NUCLEOPHILES (RADICAL ANIONS) [D] . HERR, DANIEL JOSEPH CHRISTIAN. 1984

机译：芳香取代的S（RN）1机理的机理研究：1.芳香族底物的电子捕获光谱和动力学，2.苯自由基与核素（自由基）反应的绝对速率常数。
6. 2-Butoxyethanol and Benzyl Alcohol Reactions with the Nitrate Radical: Rate Coefficients and Gas-Phase Products [O] . JOEL C. HARRISON, J. R. WELLS -1

机译：2-丁氧基乙醇和苯甲醇反应与硝酸根：速率系数和气相产物
7. The atmospherically important reaction of hydroxyl radicals with methyl nitrate: a theoretical study involving the calculation of reaction mechanisms, enthalpies, activation energies, and rate coefficients [O] . Ng, Maggie, Mok, Daniel K.W., Lee, Edmond P.F., 2017

机译：羟基自由基与硝酸甲酯的大气重要反应：理论研究涉及反应机理，焓，活化能和速率系数的计算
8. 1. Collisional Transition Probabilities for Vibrational Deactivation of Chemically Activated sec-Butyl Radicals. Diatomic and Polyatomic Molecules 2. Large Statistical Secondary Isotope Effects in Non-Equilibrium Reaction Systems. Unimolecular Decomposition of a Chemically Activated Ethyl-d1 and Ethyl-d3 Radicals. [R] . G. H. Kohlmaier, B. S. Rabinovitch, J. H. Current 1963

机译：1.化学活化仲丁基自由基振动失活的碰撞跃迁概率。双原子和多原子分子2.非平衡反应体系中的大统计次同位素效应。化学活化的乙基-d1和乙基-d3自由基的单分子分解。

Calculations of Rate Coefficients for the Chemically Activated Reactions ofAcetylene with Vinylic and Aromatic Radicals

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