Rate Constant Calculation for Thermal Reactions
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Published By John Wiley & Sons, Inc.

9781118166123, 9780470582305

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

No Barrier Theory-A New Approach to Calculating Rate Constants in Solution

Rate Constant Calculation for Thermal Reactions ◽

10.1002/9781118166123.ch5 ◽

2011 ◽

pp. 113-145 ◽

Author(s):

J. Peter Guthrie

Keyword(s):

Rate Constants ◽

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Quantum Instanton Evaluation of the Kinetic Isotope Effects and of the Temperature Dependence of the Rate Constant

Rate Constant Calculation for Thermal Reactions ◽

10.1002/9781118166123.ch3 ◽

2011 ◽

pp. 67-92

Author(s):

Jiří Vaníček

Keyword(s):

Temperature Dependence ◽

Rate Constant ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Kinetic Isotope ◽

Quantum Instanton

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Ab Initio Kinetic Modeling of Free-Radical Polymerization

Rate Constant Calculation for Thermal Reactions ◽

10.1002/9781118166123.ch9 ◽

2011 ◽

pp. 283-304 ◽

Author(s):

Michelle L. Coote

Keyword(s):

Free Radical ◽

Ab Initio ◽

Radical Polymerization ◽

Kinetic Modeling ◽

Free Radical Polymerization

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Index

Rate Constant Calculation for Thermal Reactions ◽

10.1002/9781118166123.index ◽

2011 ◽

pp. 337-341

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Challenges in the Computation of Rate Constants for Lignin Model Compounds

Rate Constant Calculation for Thermal Reactions ◽

10.1002/9781118166123.ch7 ◽

2011 ◽

pp. 191-238 ◽

Author(s):

Ariana Beste ◽

A. C. Buchanan

Keyword(s):

Rate Constants ◽

Model Compounds ◽

Lignin Model Compounds ◽

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Quantum Chemical and Rate Constant Calculations of Thermal Isomerizations, Decompositions, and Ring Expansions of Organic Ring Compounds, Its Significance to Cohbusion Kinetics

Rate Constant Calculation for Thermal Reactions ◽

10.1002/9781118166123.ch6 ◽

2011 ◽

pp. 147-189

Author(s):

Faina Dubnikova ◽

Assa Lifshitz

Keyword(s):

Rate Constant ◽

Quantum Chemical ◽

Ring Expansions ◽

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Quantum Chemistry Study on the Pyrolysis Mechanisms of Coal-Related Model Compounds

Rate Constant Calculation for Thermal Reactions ◽

10.1002/9781118166123.ch8 ◽

2011 ◽

pp. 239-282 ◽

Author(s):

Baojun Wang ◽

Riguang Zhang ◽

Lixia Ling

Keyword(s):

Quantum Chemistry ◽

Model Compounds ◽

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Overview of Thermochemistry and its Application to Reaction Kinetics

Rate Constant Calculation for Thermal Reactions ◽

10.1002/9781118166123.ch1 ◽

2011 ◽

pp. 1-32 ◽

Author(s):

Elke Goos ◽

Alexander Burcat

Keyword(s):

Reaction Kinetics

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Activation Energies in Computational Chemistry-A Case Study

Rate Constant Calculation for Thermal Reactions ◽

10.1002/9781118166123.ch4 ◽

2011 ◽

pp. 93-111

Author(s):

Michael Busch ◽

Elisabet Ahlberg ◽

Itai Panas

Keyword(s):

Computational Chemistry ◽

Activation Energies

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Intermolecular Electron Transfer Reactivity for Organic Compounds Studied Using Marcus Cross-Rate Theory

Rate Constant Calculation for Thermal Reactions ◽

10.1002/9781118166123.ch10 ◽

2011 ◽

pp. 305-336

Author(s):

Stephen F. Nelsen ◽

Jack R. Pladziewicz

Keyword(s):

Electron Transfer ◽

Organic Compounds ◽

Rate Theory ◽

Intermolecular Electron Transfer

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