Works matching IS 00212148 AND DT 2002 AND VI 42 AND IP 2/3

Results: 15

Quantum-Mechanical Reaction Rate Constants from Centroid Molecular Dynamics Simulations: Barrier Crossing in an Asymmetrical Double-Well.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 225, doi. 10.1560/46PR-4LGF-EHNY-NDHL

By:

Navrotskaya, Irina;
Qiang Shi;
Geva, Eitan

Publication type:

Article

A Hybrid Density Functional Theory Study of the Low-Temperature Dimethyl Ether Combustion Pathways. I: Chain-Propagation.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 245, doi. 10.1560/YQM7-5E5M-523Q-AQG2

By:

Andersen, Amity;
Carter, Emily A.

Publication type:

Article

Quantum Monte Carlo Methods for Electronic Structure of Nanosystems.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 261, doi. 10.1560/QRWB-75NV-MEL1-D124

By:

Mitas, Lubos

Publication type:

Article

Resonant Laser Excitation of Molecular Wires.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 135, doi. 10.1560/AUBM-9VQY-1WMP-MEU5

By:

Kohler, Sigmund;
Lehmann, Jorg;
Camlet, Sebastien;
Hanggi, Peter

Publication type:

Article

Thermal Resonant Tunneling Rates by a Generalized Flux Averaging Method.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 237, doi. 10.1560/822K-5LT2-ACBB-HC15

By:

Caspary, Maytal;
Berman, Lihu;
Peskin, Uri

Publication type:

Article

Ab Initio Molecular Dynamics: Propagating the Density Matrix with Gaussian Orbitals. IV. Formal Analysis of the Deviations from Born-Oppenheimer Dynamics.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 191, doi. 10.1560/GLW2-8NVQ-4N6T-6C92

By:

Iyengar, Srinivasan S.;
Schlegel, H. Bernhard;
Voth, Gregory A.;
Millam, John M.;
Scuseria, Gustavo E.;
Frisch, Michael J.

Publication type:

Article

Quantum Simulations of Vibrational Dephasing of Molecules in a Cryogenic Environment: HArF in an Argon Cluster.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 157, doi. 10.1560/B2R2-BMUA-AM1L-HCMB

By:

Jungwirth, Pavel;
Gerber, R. Benny;
Ratner, Mark A.

Publication type:

Article

Application of Time-Dependent Density-Functional Theory to Electron-Ion Coupling in Ethylene.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 151, doi. 10.1560/JJHK-ACM8-2E6M-DK9C

By:

Bertsch, George F.;
Giansiracusa, Jeffrey;
Yabana, Kazuhiro

Publication type:

Article

Quantum Quadratic Brownian Oscillator Model for Absorption Lineshapes.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 143, doi. 10.1560/HG6U-YQMP-8A3G-NERF

By:

Barsegov, Valeri;
Chernyak, Vladimir;
Mukamel, Shaul

Publication type:

Article

Current-Voltage-Temperature Characteristics for 2D Arrays of Metallic Quantum Dots.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 269, doi. 10.1560/N79E-63LC-UK4Y-MQQ6

By:

Remacle, F.;
Levine, R. D.

Publication type:

Article

Self-Consistent Hybrid Approach for Simulating Electron Transfer Reactions in Condensed Phases.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 167, doi. 10.1560/KJ0G-KB9C-G0JB-AREA

By:

Wang, Haobin;
Thoss, Michael

Publication type:

Article

Thermal Effects in the Ultrafast Photoinduced Electron Transfer from a Molecular Donor Anchored to a Semiconductor Acceptor.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 213, doi. 10.1560/U3GF-G11X-325D-0WJ1

By:

Stier, William;
Prezhdo, Oleg V.

Publication type:

Article

Classical Description of the Level Density and the Relaxation Behavior of Multidimensional Molecular Curve-Crossing Systems.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 203, doi. 10.1560/YRDY-98L9-RYAH-2E1B

By:

Dilthey, Stefan;
Stock, Gerhard

Publication type:

Article

Centroid Dynamics with Quantum Statistics.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 183, doi. 10.1560/V0M8-VJPP-6Y31-BNFC

By:

Roy, Pierre-Nicholas;
Blinov, Nicholas

Publication type:

Article

The Relationship between Electron Transfer Rate and Molecular Conduction. 2. The Sequential Hopping Case.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 163, doi. 10.1560/YLBD-YF7Y-4J4E-EPQE

By:

Nitzan, Abraham

Publication type:

Article