5. No Barrier Theory—A New Approach to Calculating Rate Constants in Solution

  1. Herbert DaCosta and
  2. Maohong Fan
  1. J. Peter Guthrie

Published Online: 7 DEC 2011

DOI: 10.1002/9781118166123.ch5

Rate Constant Calculation for Thermal Reactions: Methods and Applications

Rate Constant Calculation for Thermal Reactions: Methods and Applications

How to Cite

Guthrie, J. P. (2011) No Barrier Theory—A New Approach to Calculating Rate Constants in Solution, 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.ch5

Author Information

  1. Department of Chemistry, University of Western Ontario, London, Ontario, Canada

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:

  • NBT, a new approach to rate constants, in solution;
  • applications to date;
  • NBT for intramolecular reactions, a goal

Summary

This chapter contains sections titled:

  • Introduction

  • The Idea Behind No Barrier Theory

  • How to Define the Surface and Find the Transition State

  • What is Needed for a Calculation?

  • Applications to Date

  • Future Prospects for NBT

  • Summary

  • References