Ezra Festschrift Collection

This special collection of articles celebrates the 60th birthday of Professor Greg Ezra

Journal

Theoretical Chemistry Accounts

For more than 60 years, TCA has published high-quality papers in all fields of theoretical chemistry, computational chemistry, and modeling.

Showing 1-15 of 15 articles

Preface to the special collection in honor of Gregory S. Ezra
Srihari Keshavamurthy
Stephen Wiggins
Preface 24 January 2015 Article: 14
Semiclassical quantization of atomic systems through their normal form: the hydrogen atom
Charles Jaffé
Jesús Palacián
T. Uzer
Regular Article 21 November 2014 Article: 1592
Quantum molecular dynamics simulations of liquid benzene using orbital optimization
Nazar Ileri
Laurence E. Fried
Regular Article 25 September 2014 Article: 1575
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
Regular Article 13 September 2014 Article: 1571
The semiclassical propagator in fermionic Fock space
Thomas Engl
Peter Plößl
Klaus Richter
Regular Article 10 September 2014 Article: 1563
Ions in liquid metal clusters
R. Stephen Berry
Boris M. Smirnov
Regular Article 12 August 2014 Article: 1543
Toward a quantum trajectory-based rate theory
Brittany L. Hyland
Craig C. Martens
Regular Article 12 August 2014 Article: 1536
Revisiting roaming trajectories in ketene isomerization at higher dimensionality
Inga S. Ulusoy
Rigoberto Hernandez
Regular Article 15 July 2014 Article: 1528
A semiclassical adiabatic calculation of state densities for molecules exhibiting torsion: application to hydrogen peroxide and its isotopomers
Zeb C. Kramer
Rex T. Skodje
Regular Article 11 July 2014 Article: 1530
Effect of a chiral electrostatic cavity on product selection in a reaction with a bifurcating reaction path
Barry K. Carpenter
Regular Article 02 July 2014 Article: 1525
Signatures of classical bifurcations in the quantum scattering resonances of dissociating molecules
Pierre Gaspard
Regular Article 22 June 2014 Article: 1519
Roaming dynamics in ketene isomerization
Frédéric A. L. Mauguière
Peter Collins
Stephen Wiggins
Regular Article Open access 10 June 2014 Article: 1507
Vibrational energy flow across heme–cytochrome c and cytochrome c–water interfaces
Johnson K. Agbo
Yao Xu
David M. Leitner
Regular Article 31 May 2014 Article: 1504
Topological phase transitions in the vibration–rotation dynamics of an isolated molecule
T. Iwai
B. Zhilinskii
Regular Article 22 May 2014 Article: 1501
Computer simulation of quantum dynamics in a classical spin environment
Alessandro Sergi
Regular Article 20 May 2014 Article: 1495

Ezra Festschrift Collection

Participating journal

Theoretical Chemistry Accounts

Articles

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

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

Quantum molecular dynamics simulations of liquid benzene using orbital optimization

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

The semiclassical propagator in fermionic Fock space

Ions in liquid metal clusters

Toward a quantum trajectory-based rate theory

Revisiting roaming trajectories in ketene isomerization at higher dimensionality

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

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

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

Roaming dynamics in ketene isomerization

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

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

Computer simulation of quantum dynamics in a classical spin environment

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