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- 2011041445 contributor B12148515.
- 2011041445 created "c2012.".
- 2011041445 date "2012".
- 2011041445 date "c2012.".
- 2011041445 dateCopyrighted "c2012.".
- 2011041445 description "1. Overview of thermochemistry and its application to reaction kinetics / Elke Goos and Alexander Burcat -- 2. Calculation of kinetic data using computational methods / Fernando P. Cossío -- 3. Quantum instanton evaluation of the kinetic isotope effects and of the temperature dependence of the rate constant / Jiří Vaníček -- 4. Activation energies in computational chemistry : a case study / Michael Busch, Elisabet Ahlberg, and Itai Panas -- 5. No barrier theory : a new approach to calculating rate constants in solution / J. Peter Guthrie -- 6. Quantum chemical and rate constant calculations of thermal isomerizations, decompositions, and ring expansions of organic ring compounds, its significance of cohbusion kinetics / Faina Dubnikova and Assa Lifshitz -- 7. Challenges in the computation of rate constants for lignin model compounds / Ariana Beste and A. C. Buchanan, III -- 8. Quantum chemistry study on the pyrolysis mechanisms of coal-related model compounds / Wang Baojun, Riguang Zhang, and Ling Lixia -- 9. Ab initio kinetic modeling of free-radical polymerization / Michelle L. Coote -- 10. Intermolecular electron transfer reactivity for organic compounds studied using Marcus Cross-Rate Theory / Stephen F. Nelson, and Jack R. Pladziewicz.".
- 2011041445 description "Includes bibliographical references and index.".
- 2011041445 extent "xvi, 341 p. :".
- 2011041445 identifier "0470582308".
- 2011041445 identifier "9780470582305".
- 2011041445 identifier 2011041445-d.html.
- 2011041445 identifier 2011041445-t.html.
- 2011041445 identifier 2011041445-b.html.
- 2011041445 issued "2012".
- 2011041445 issued "c2012.".
- 2011041445 language "eng".
- 2011041445 publisher "Hoboken, N.J. : Wiley,".
- 2011041445 subject "541/.36 23".
- 2011041445 subject "Chemical kinetics Effect of temperature on Mathematics.".
- 2011041445 subject "Numerical calculations.".
- 2011041445 subject "QD504 .R38 2012".
- 2011041445 subject "Thermochemistry Mathematics.".
- 2011041445 tableOfContents "1. Overview of thermochemistry and its application to reaction kinetics / Elke Goos and Alexander Burcat -- 2. Calculation of kinetic data using computational methods / Fernando P. Cossío -- 3. Quantum instanton evaluation of the kinetic isotope effects and of the temperature dependence of the rate constant / Jiří Vaníček -- 4. Activation energies in computational chemistry : a case study / Michael Busch, Elisabet Ahlberg, and Itai Panas -- 5. No barrier theory : a new approach to calculating rate constants in solution / J. Peter Guthrie -- 6. Quantum chemical and rate constant calculations of thermal isomerizations, decompositions, and ring expansions of organic ring compounds, its significance of cohbusion kinetics / Faina Dubnikova and Assa Lifshitz -- 7. Challenges in the computation of rate constants for lignin model compounds / Ariana Beste and A. C. Buchanan, III -- 8. Quantum chemistry study on the pyrolysis mechanisms of coal-related model compounds / Wang Baojun, Riguang Zhang, and Ling Lixia -- 9. Ab initio kinetic modeling of free-radical polymerization / Michelle L. Coote -- 10. Intermolecular electron transfer reactivity for organic compounds studied using Marcus Cross-Rate Theory / Stephen F. Nelson, and Jack R. Pladziewicz.".
- 2011041445 title "Rate constant calculation for thermal reactions : methods and applications / edited by Herbert DaCosta, Maohong Fan.".
- 2011041445 type "text".