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Gregory S. Ezra

A Festschrift from Theoretical Chemistry Accounts

  • Book
  • © 2015

Overview

Editors:
  1. Srihari Keshavamurthy

    1. Department of Chemistry, Indian Institute of Technology, Kanpur, India

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    You can also search for this editor in PubMed   Google Scholar

  2. Stephen Wiggins

    1. Department of Mathematics, University of Bristol, Bristol, United Kingdom

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    You can also search for this editor in PubMed   Google Scholar

  • Selected contributions from the journal Theoretical Chemistry Accounts
  • Now available in hardcover Written by experts
  • Includes supplementary material: sn.pub/extras

Part of the book series: Highlights in Theoretical Chemistry (HITC, volume 7)

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Table of contents (15 chapters)

  1. Front Matter

    Pages i-v
    Download chapter PDF

  2. Preface to the special collection in honor of Gregory S. Ezra

    • Srihari Keshavamurthy, Stephen Wiggins
    Pages 1-9

  3. Roaming dynamics in ketene isomerization

    • Frédéric A. L. Mauguière, Peter Collins, Gregory S. Ezra, Stavros C. Farantos, Stephen Wiggins
    Pages 11-23

  4. Revisiting roaming trajectories in ketene isomerization at higher dimensionality

    • Inga S. Ulusoy, Rigoberto Hernandez
    Pages 25-33

  5. Toward a quantum trajectory-based rate theory

    • Brittany L. Hyland, Craig C. Martens
    Pages 35-43

  6. Semiclassical quantization of atomic systems through their normal form: the hydrogen atom

    • Charles Jaffé, Jesús Palacián, Patricia Yanguas, T. Uzer
    Pages 45-51

  7. A semiclassical adiabatic calculation of state densities for molecules exhibiting torsion: application to hydrogen peroxide and its isotopomers

    • Zeb C. Kramer, Rex T. Skodje
    Pages 53-65

  8. The semiclassical propagator in fermionic Fock space

    • Thomas Engl, Peter Plößl, Juan Diego Urbina, Klaus Richter
    Pages 67-88

  9. A new method to improve validity range of Lie canonical perturbation theory: with a central focus on a concept of non-blow-up region

    • Hiroshi Teramoto, Mikito Toda, Tamiki Komatsuzaki
    Pages 89-103

  10. Signatures of classical bifurcations in the quantum scattering resonances of dissociating molecules

    • Pierre Gaspard
    Pages 105-113

  11. Topological phase transitions in the vibration–rotation dynamics of an isolated molecule

    • T. Iwai, B. Zhilinskii
    Pages 115-127

  12. Vibrational energy flow across heme–cytochrome c and cytochrome c–water interfaces

    • Johnson K. Agbo, Yao Xu, Ping Zhang, John E. Straub, David M. Leitner
    Pages 129-138

  13. Quantum molecular dynamics simulations of liquid benzene using orbital optimization

    • Nazar Ileri, Laurence E. Fried
    Pages 139-149

  14. Effect of a chiral electrostatic cavity on product selection in a reaction with a bifurcating reaction path

    • Barry K. Carpenter
    Pages 151-158

  15. Computer simulation of quantum dynamics in a classical spin environment

    • Alessandro Sergi
    Pages 159-174

  16. Ions in liquid metal clusters

    • R. Stephen Berry, Boris M. Smirnov
    Pages 175-183
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About this book

In this Festschrift dedicated to the 60th birthday of Gregory S. Ezra, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry and will especially benefit those research groups and libraries with limited access to the journal.

Editors and Affiliations

  • Department of Chemistry, Indian Institute of Technology, Kanpur, India

    Srihari Keshavamurthy

  • Department of Mathematics, University of Bristol, Bristol, United Kingdom

    Stephen Wiggins

About the editors

Srihari Keshavamurthy Stephen Wiggins

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