Journal of Chemical Physics

Journal of Chemical Physics, Vol.105, No.4 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (44 articles)

1305 - 1310	Determination of the Conduction-Band Energy Minimum in Fluid Argon by Means of Field-Ionization Alomari AK, Altmann KN, Reininger R
1311 - 1317	A General and Efficient Filter-Diagonalization Method Without Time Propagation Chen RQ, Guo H
1318 - 1329	Spectroscopy of F2 in Ne Matrices Bressler C, Lawrence WG, Schwentner N
1330 - 1340	The B(1/2 P-2(3/2))-)X(1/2 (2)Sigma(+)) Transition in Xei Radzykewycz DT, Tellinghuisen J
1341 - 1347	High-Resolution Laser Spectroscopy of the X(1)Sigma(+) and (1)(3)Sigma(+) States of (Narb)-Na-23-Rb-85 Molecule Kasahara S, Ebi T, Tanimura M, Ikoma H, Matsubara K, Baba M, Kato H
1348 - 1354	Theory of Odd Torsional Transitions in the V-N Resonance Raman-Spectrum of Ethylene Watson JK, Siebrand W, Pawlikowski M, Zgierski MZ
1355 - 1362	The Vibrational-Energy Pattern in (C2H2)-C-12(II) - Vibrational Clustering and Rotational Structure Temsamani MA, Herman M
1363 - 1382	The Dynamics of Predissociating High Rydberg States of No Bixon M, Jortner J
1383 - 1391	Collisional Deactivation of Highly Vibrationally Excited Pyrazine Miller LA, Barker JR
1392 - 1401	A Quasi-Classical Trajectory Calculation for the Penning Ionization H2O+he-Asterisk(2(3)S)-)H2O++he+e(-) - Rotational Cooling Effects Ishida T
1402 - 1408	Particle Simulation of Chemical Chaos Geysermans P, Baras F
1409 - 1419	Investigation on the Reflection and Transmission Properties of Complex Absorbing Potentials Riss UV, Meyer HD
1420 - 1425	Collisional Deactivation of N2O(00(0)1) Studied by Time-Resolved Infrared Fluorescence Poel KL, Alwahabi ZT, King KD
1426 - 1436	Molecular-Dynamics with Multiple Time Scales - The Selection of Efficient Reference System Propagators Stuart SJ, Zhou RH, Berne BJ
1437 - 1450	Ab-Initio Computation of Semiempirical Pi-Electron Methods .5. Geometry Dependence of H-Nu Pi-Electron Effective Integrals Martin CH, Freed KF
1451 - 1459	Perturbative Triple Excitation Corrections to Coupled-Cluster Singles and Doubles Excitation-Energies Christiansen O, Koch H, Jorgensen F
1460 - 1469	Coupled Hartree-Fock Calculations of Molecular Magnetic-Properties Annihilating the Transverse Paramagnetic Current-Density Zanasi R
1470 - 1478	New Operators for Electronic Density Calculation .1. Derivations and Formal Analysis Rassolov VA, Chipman DM
1479 - 1491	New Operators for Electronic Density Calculation .2. Application to Hydrogen, First-Row Atoms, and First-Row Diatomic Hydrides Rassolov VA, Chipman DM
1492 - 1499	A Pseudopotential Hole-Particle Treatment of Neutral Rare-Gas Excimer Systems .1. Formalism Duplaa P, Spiegelmann F
1500 - 1515	A Pseudopotential Hole-Particle Treatment of Neutral Rare-Gas Excimer Systems .2. The Rydberg States of the Ar-2-Asterisk Dimer Duplaa P, Spiegelmann F
1516 - 1528	Molecular-Dynamics Simulation of N-Nonadecane in Urea Inclusion Compound .1. Comparison with Quasi-Elastic Neutron-Scattering Experiment Souaille M, Guillaume F, Smith JC
1529 - 1536	Molecular-Dynamics Simulation of N-Nonadecane in Urea Inclusion Compound .2. Rotational Distribution and Elastic Incoherent Structure Factor Souaille M, Guillaume F, Smith JC
1537 - 1545	Transport-Properties of a Binary Gas-Mixture of Molecules with Internal Energy .2. Thermal-Conductivity Singh GS, Prasad N, Kumar B
1546 - 1551	Analytical Energy Gradient for the Reference Interaction Site Model Multiconfigurational Self-Consistent-Field Method - Application to 1,2-Difluoroethylene in Aqueous-Solution Sato H, Hirata F, Kato S
1552 - 1561	Contributions of Rotation and Translation to Polarizability Anisotropy and Solvation Dynamics in Acetonitrile Ladanyi BM, Klein S
1562 - 1571	Comparison of Mobility Equivalent Diameter with Kelvin-Thomson Diameter Using Ion Mobility Data Makela JM, Riihela M, Ukkonen A, Jokinen V, Keskinen J
1572 - 1583	Kinetics and Dynamics of the Initial Dissociative Chemisorption of Oxygen on Ru(001) Wheeler MC, Seets DC, Mullins CB
1584 - 1593	Dynamics of Electron-Hole Pair Creation at Semiconductor Surface via Charge-Transfer Between Molecule and Solid Masato S
1594 - 1600	Adsorption-Induced Surface Ordering on Solutions of Rigid-Rodlike Molecules Matsuyama A, Umemoto K, Kato T
1601 - 1608	Phase-Diagram of a Semiflexible Polymer-Chain in a Theta-Solvent - Application to Protein-Folding Doniach S, Garel T, Orland H
1609 - 1620	Molecular Adsorption of Alkanes on Platinum Surfaces - A Predictive Theoretical-Model Stinnett JA, Madix RJ
1621 - 1632	Estimation of Mutual Diffusion-Coefficients in Polymer/Penetrant Systems Using Nonequilibrium Molecular-Dynamics Simulations Sunderrajan S, Hall CK, Freeman BD
1633 - 1645	Interfacial Behavior of Phase-Separated Asymmetric Compressible Binary Polymer Blends Lifschitz M, Freed KF
1646 - 1653	The Suitability of Scanning Angle Reflectometry for Colloidal Particle Sizing Vanderzeeuw EA, Sagis LM, Koper GJ, Mann EK, Haarmans MT, Bedeaux D
1654 - 1660	Theory of Binary-Mixtures of a Flexible Polymer and a Liquid-Crystal Matsuyama A, Kato T
1661 - 1667	Analytical Description of Gas-Transport Across an Interface with Coupled Diffusion in 2 Phases Huthwelker T, Peter T
1668 - 1681	A Molecular-Dynamics Model of the Amorphous Regions of Polyethylene Oxide Lin B, Boinske PT, Halley JW
1682 - 1690	Dynamics of Interacting Polymer-Chains and Solvents Pandey RB, Bernardes AT, Foo GM, Stauffer D
1691 - 1696	Kinetics Measurements of Co Photooxidation on Pt(111) Tripa CE, Arumaninayagam CR, Yates JT
1697 - 1701	Observation of the 2nd Ordered Phase of Water on the MgO(100) Surface - Low-Energy-Electron Diffraction and Helium Atom Scattering Studies Ferry D, Glebov A, Senz V, Suzanne J, Toennies JP, Weiss H
1702 - 1717	Electronic Excitation Transfer in Chains Modulated by Conformational Dynamic Disorder Palszegi T, Kauffmann HF
1718 - 1734	The Influence of Spacer Chain Conformations on the Nematic Ordering of Main-Chain Polymers Serpi HS, Photinos DJ
1735 - 1738	Peristaltic Instability of Cylindrical Gels Barriere B, Sekimoto K, Leiber L