Gregory S. Ezra - Highlights in Theoretical Chemistry
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Published By Springer Berlin Heidelberg

9783662473764, 9783662473771

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

Gregory S. Ezra - Highlights in Theoretical Chemistry ◽

10.1007/978-3-662-47377-1_11 ◽

2015 ◽

pp. 129-138

Author(s):

Johnson K. Agbo ◽

Yao Xu ◽

Ping Zhang ◽

John E. Straub ◽

David M. Leitner

Keyword(s):

Cytochrome C ◽

Energy Flow ◽

Vibrational Energy ◽

Vibrational Energy Flow

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

Gregory S. Ezra - Highlights in Theoretical Chemistry ◽

10.1007/978-3-662-47377-1_1 ◽

2015 ◽

pp. 1-9

Author(s):

Srihari Keshavamurthy ◽

Stephen Wiggins

Keyword(s):

Special Collection

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

Gregory S. Ezra - Highlights in Theoretical Chemistry ◽

10.1007/978-3-662-47377-1_5 ◽

2014 ◽

pp. 45-51

Author(s):

Charles Jaffé ◽

Jesús Palacián ◽

Patricia Yanguas ◽

T. Uzer

Keyword(s):

Hydrogen Atom ◽

Normal Form ◽

Atomic Systems ◽

Semiclassical Quantization

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Quantum molecular dynamics simulations of liquid benzene using orbital optimization

Gregory S. Ezra - Highlights in Theoretical Chemistry ◽

10.1007/978-3-662-47377-1_12 ◽

2014 ◽

pp. 139-149

Author(s):

Nazar Ileri ◽

Laurence E. Fried

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Quantum Molecular Dynamics ◽

Orbital Optimization ◽

Liquid Benzene ◽

Dynamics Simulations

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

Gregory S. Ezra - Highlights in Theoretical Chemistry ◽

10.1007/978-3-662-47377-1_8 ◽

2014 ◽

pp. 89-103

Author(s):

Hiroshi Teramoto ◽

Mikito Toda ◽

Tamiki Komatsuzaki

Keyword(s):

Perturbation Theory ◽

Blow Up ◽

New Method ◽

Central Focus ◽

Canonical Perturbation ◽

Validity Range

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The semiclassical propagator in fermionic Fock space

Gregory S. Ezra - Highlights in Theoretical Chemistry ◽

10.1007/978-3-662-47377-1_7 ◽

2014 ◽

pp. 67-88

Author(s):

Thomas Engl ◽

Peter Plößl ◽

Juan Diego Urbina ◽

Klaus Richter

Keyword(s):

Fock Space

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Toward a quantum trajectory-based rate theory

Gregory S. Ezra - Highlights in Theoretical Chemistry ◽

10.1007/978-3-662-47377-1_4 ◽

2014 ◽

pp. 35-43

Author(s):

Brittany L. Hyland ◽

Craig C. Martens

Keyword(s):

Quantum Trajectory ◽

Rate Theory

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Ions in liquid metal clusters

Gregory S. Ezra - Highlights in Theoretical Chemistry ◽

10.1007/978-3-662-47377-1_15 ◽

2014 ◽

pp. 175-183

Author(s):

R. Stephen Berry ◽

Boris M. Smirnov

Keyword(s):

Liquid Metal ◽

Metal Clusters

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Revisiting roaming trajectories in ketene isomerization at higher dimensionality

Gregory S. Ezra - Highlights in Theoretical Chemistry ◽

10.1007/978-3-662-47377-1_3 ◽

2014 ◽

pp. 25-33

Author(s):

Inga S. Ulusoy ◽

Rigoberto Hernandez

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

Gregory S. Ezra - Highlights in Theoretical Chemistry ◽

10.1007/978-3-662-47377-1_6 ◽

2014 ◽

pp. 53-65 ◽

Cited By ~ 1

Author(s):

Zeb C. Kramer ◽

Rex T. Skodje

Keyword(s):

Hydrogen Peroxide ◽

State Densities

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Gregory S. Ezra - Highlights in Theoretical ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Berlin Heidelberg

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

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

Toward a quantum trajectory-based rate theory

Ions in liquid metal clusters

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

Gregory S. Ezra - Highlights in Theoretical Chemistry
Latest Publications