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

  1. Herbert DaCosta and
  2. Maohong Fan
  1. Faina Dubnikova and
  2. Assa Lifshitz

Published Online: 7 DEC 2011

DOI: 10.1002/9781118166123.ch6

Rate Constant Calculation for Thermal Reactions: Methods and Applications

Rate Constant Calculation for Thermal Reactions: Methods and Applications

How to Cite

Dubnikova, F. and Lifshitz, A. (2011) Quantum Chemical and Rate Constant Calculations of Thermal Isomerizations, Decompositions, and Ring Expansions of Organic Ring Compounds, Its Significance to Cohbusion Kinetics, in Rate Constant Calculation for Thermal Reactions: Methods and Applications (eds H. DaCosta and M. Fan), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9781118166123.ch6

Author Information

  1. Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, Israel

Publication History

  1. Published Online: 7 DEC 2011
  2. Published Print: 29 DEC 2011

ISBN Information

Print ISBN: 9780470582305

Online ISBN: 9781118166123

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Keywords:

  • quantum chemical calculations, on thermal isomerizations;
  • ring expansion processes in combustion;
  • quantum chemical calculations, rate constant evaluation

Summary

This chapter contains sections titled:

  • Prologue

  • Small Organic Ring Compounds

  • Pyrrole and Indole

  • Dihydrofurans and Dihydrobenzofurans

  • Naphthyl Acetylene–Naphthyl Ethylene

  • Ring Expansion Processes

  • Benzoxazole–Benzisoxazoles

  • Conclusion

  • Acknowledgment

  • References