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Volume 42; Issue 2-3
Main
Israel Journal of Chemistry
Volume 42; Issue 2-3
Israel Journal of Chemistry
Volume 42; Issue 2-3
1
Foreword by the Guest Editors: Computational Chemistry of Quantum Mechanical Processes
Eran Rabani
,
Roi Boer
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 54 KB
Your tags:
english, 2002
2
Resonant laser excitation of molecular wires
Sigmund Kohler
,
Jörg Lehmann
,
Sébastien Camalet
,
Peter Hänggi
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 997 KB
Your tags:
english, 2002
3
Quantum simulations of vibrational dephasing of molecules in a cryogenic environment: HArF in an argon cluster
Pavel Jungwirth
,
R. Benny Gerber
,
Mark A. Ratner
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 3.48 MB
Your tags:
english, 2002
4
Ab initio molecular dynamics: Propagating the density matrix with gaussian orbitals. IV. Formal analysis of the deviations from born-oppenheimer dynamics
Srinivasan S. Iyengar
,
H. Bernhard Schlegel
,
Gregory A. Voth
,
John M. Millam
,
Gustavo E. Scuseria
,
Michael J. Frisch
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 2.09 MB
Your tags:
english, 2002
5
Quantum quadratic brownian oscillator model for absorption lineshapes
Valeri Barsegov
,
Vladimir Chernyak
,
Shaul Mukamel
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 2.15 MB
Your tags:
english, 2002
6
Application of time-dependent density-functional theory to electron—ion coupling in ethylene
George F. Bertsch
,
Jeffrey Giansiracusa
,
Kazuhiro Yabana
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 970 KB
Your tags:
english, 2002
7
Self-consistent hybrid approach for simulating electron transfer reactions in condensed phases
Haobin Wang
,
Michael Thoss
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 1.62 MB
Your tags:
english, 2002
8
Current–voltage–temperature characteristics for 2D arrays of metallic quantum dots
F. Remacle
,
R. D. Levine
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 1.68 MB
Your tags:
english, 2002
9
Quantum monte carlo methods for electronic structure of nanosystems
Lubos Mitas
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 862 KB
Your tags:
english, 2002
10
Thermal effects in the ultrafast photoinduced electron transfer from a molecular donor anchored to a semiconductor acceptor
William Stier
,
Oleg V. Prezhdo
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 1.75 MB
Your tags:
english, 2002
11
Centroid dynamics with quantum statistics
Pierre-Nicholas Roy
,
Nicholas Blinov
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 1.66 MB
Your tags:
english, 2002
12
The relationship between electron transfer rate and molecular conduction 2. The sequential hopping case
Abraham Nitzan
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 345 KB
Your tags:
english, 2002
13
A hybrid density functional theory study of the low-temperature dimethyl ether combustion pathways. I: Chain-propagation
Amity Andersen
,
Emily A. Carter
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 3.02 MB
Your tags:
english, 2002
14
Classical description of the level density and the relaxation behavior of multidimensional molecular curve-crossing systems
Stefan Dilthey
,
Gerhard Stock
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 1.64 MB
Your tags:
english, 2002
15
Quantum-mechanical reaction rate constants from centroid molecular dynamics simulations: Barrier crossing in an asymmetrical double-well
Irina Navrotskaya
,
Qiang Shi
,
Eitan Geva
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 1.93 MB
Your tags:
english, 2002
16
Thermal resonant tunneling rates by a generalized flux averaging method
Maytal Caspary
,
Lihu Berman
,
Uri Peskin
Journal:
Israel Journal of Chemistry
Year:
2002
Language:
english
File:
PDF, 954 KB
Your tags:
english, 2002
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