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.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 225, doi. 10.1560/46PR-4LGF-EHNY-NDHL
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A Hybrid Density Functional Theory Study of the Low-Temperature Dimethyl Ether Combustion Pathways. I: Chain-Propagation.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 245, doi. 10.1560/YQM7-5E5M-523Q-AQG2
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Quantum Monte Carlo Methods for Electronic Structure of Nanosystems.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 261, doi. 10.1560/QRWB-75NV-MEL1-D124
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Resonant Laser Excitation of Molecular Wires.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 135, doi. 10.1560/AUBM-9VQY-1WMP-MEU5
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Thermal Resonant Tunneling Rates by a Generalized Flux Averaging Method.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 237, doi. 10.1560/822K-5LT2-ACBB-HC15
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Ab Initio Molecular Dynamics: Propagating the Density Matrix with Gaussian Orbitals. IV. Formal Analysis of the Deviations from Born-Oppenheimer Dynamics.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 191, doi. 10.1560/GLW2-8NVQ-4N6T-6C92
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Quantum Simulations of Vibrational Dephasing of Molecules in a Cryogenic Environment: HArF in an Argon Cluster.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 157, doi. 10.1560/B2R2-BMUA-AM1L-HCMB
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Application of Time-Dependent Density-Functional Theory to Electron-Ion Coupling in Ethylene.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 151, doi. 10.1560/JJHK-ACM8-2E6M-DK9C
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Quantum Quadratic Brownian Oscillator Model for Absorption Lineshapes.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 143, doi. 10.1560/HG6U-YQMP-8A3G-NERF
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Current-Voltage-Temperature Characteristics for 2D Arrays of Metallic Quantum Dots.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 269, doi. 10.1560/N79E-63LC-UK4Y-MQQ6
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Self-Consistent Hybrid Approach for Simulating Electron Transfer Reactions in Condensed Phases.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 167, doi. 10.1560/KJ0G-KB9C-G0JB-AREA
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Thermal Effects in the Ultrafast Photoinduced Electron Transfer from a Molecular Donor Anchored to a Semiconductor Acceptor.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 213, doi. 10.1560/U3GF-G11X-325D-0WJ1
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Classical Description of the Level Density and the Relaxation Behavior of Multidimensional Molecular Curve-Crossing Systems.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 203, doi. 10.1560/YRDY-98L9-RYAH-2E1B
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Centroid Dynamics with Quantum Statistics.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 183, doi. 10.1560/V0M8-VJPP-6Y31-BNFC
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The Relationship between Electron Transfer Rate and Molecular Conduction. 2. The Sequential Hopping Case.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 163, doi. 10.1560/YLBD-YF7Y-4J4E-EPQE
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