Journal of Chemical Physics

Journal of Chemical Physics, Vol.107, No.6 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (50 articles)

1687 - 1691	Electric Quadrupole 2nd-Harmonic Generation Spectra in Epitaxial Vanadyl and Titanyl Phthalocyanine Films Grown by Molecular-Beam Epitaxy Hoshi H, Yamada T, Ishikawa K, Takezoe H, Fukuda A
1692 - 1702	Pump-Probe Spectroscopy and Photophysical Properties of Single di-Benzanthanthrene Molecules in a Naphthalene Crystal Jelezko F, Lounis B, Orrit M
1703 - 1716	The Observation of Strong Pseudo-Jahn-Teller Activity in the Benzene Cation (B)over-Tilde(2)E(2G) State Goode JG, Hofstein JD, Johnson PM
1717 - 1724	Coupled-Cluster Anharmonic-Force Fields, Spectroscopic Constants, and Vibrational Energies of Alf3 and Sif3+ Pak Y, Sibert EL, Woods RC
1725 - 1731	Methyl-Group Tunneling - A Quantitative Probe of Atom-Atom Potentials Neumann M, Johnson MR
1732 - 1739	The Microwave-Spectrum of the Cyanomethyl Radical Ch2Cn(B-2(1)) Saito S, Yamamoto S
1740 - 1743	Dielectric-Relaxation in the Fragile Viscous-Liquid State of Toluene Doss A, Hinze G, Schiener B, Hemberger J, Bohmer R
1744 - 1752	Deuterium Quadrupole Coupling Tensors in Methyl Halides - Ab-Initio Effective Core Potential and Liquid-Crystal Nuclear-Magnetic-Resonance Study Vaara J, Hiltunen Y
1753 - 1758	Nuclear-Quadrupole Spin-Lattice Relaxation Due to Molecular Reorientations in Crystals with Orientational Disorder Meriles CA, Perez SC, Brunetti AH
1759 - 1764	Density-Dependence of the Conduction-Band Minimum in Fluid Krypton and Xenon from Field-Ionization of (CH3)(2)S Altmann KN, Reininger R
1765 - 1778	Fourier-Transform Spectrum of the Inplane CH3-Rocking Fundamental and Vibrational Coupling in C-13 Methanol Predoi A, Lees RM, Johns JW
1779 - 1793	Gaussian-Markovian Quantum Fokker-Planck Approach to Nonlinear Spectroscopy of a Displaced Morse Potentials System - Dissociation, Predissociation, and Optical Stark Effects Tanimura Y, Maruyama Y
1794 - 1815	Raman Dispersion Spectroscopy on the Highly Saddled Nickel(II)-Octaethyltetraphenylporphyrin Reveals the Symmetry of Nonplanar Distortions and the Vibronic Coupling Strength of Normal-Modes Schweitzerstenner R, Stichternath A, Dreybrodt W, Jentzen W, Song XZ, Shelnutt JA, Nielsen OF, Medforth CJ, Smith KM
1816 - 1823	Calculation of Resonances of Hco by the Artificial Boundary Inhomogeneity Method Whittier GS, Light JC
1824 - 1834	Line-Shape, Transport and Relaxation Properties from Intermolecular Potential-Energy Surfaces - The Test-Case of CO2-Ar Roche CF, Dickinson AS, Ernesti A, Hutson JM
1835 - 1848	3-Dimensional Analytical Infinite-Order Sudden Quantum-Theory for Triatomic Indirect Photodissociation Processes Grinberg H, Freed KF, Williams CJ
1849 - 1860	3-Dimensional Infinite-Order Sudden Quantum-Theory for Indirect Photodissociation Processes - Application to the Photofragment Yield Spectrum of Nocl in the Region of the T-1(1(3)A")(-S-0(1(1)A’) Transition - Fragment Rotational Distributions and Thermal Averages Grinberg H, Freed KF, Williams CJ
1861 - 1871	Reactions of Ni-38 with N-2, H-2, and Co - Cluster Structure and Adsorbate Binding-Sites Parks EK, Nieman GC, Kerns KP, Riley SJ
1872 - 1880	An Ab-Initio Molecular-Orbital Study of the Potential-Energy Surface of the Ho2+no Reaction Sumathi R, Peyerimhoff SD
1881 - 1889	A General Methodology for Quantum Modeling of Free-Energy Profile of Reactions in Solution - An Application to the Menshutkin Nh3+ch3Cl Reaction in Water Truong TN, Truong TT, Stefanovich EV
1890 - 1895	The Effects of Molecular Association on Mutual Diffusion in Acetone Chan TC, Ma NL, Chen N
1896 - 1903	Effects of Reactant Composition and Nonuniformities on Temperature Fronts Annamalai J, Ballandis C, Somani M, Liauw MA, Luss D
1904 - 1914	Semiclassical Theory of Time-Dependent Curve Crossing Problems Teranishi Y, Nakamura H
1915 - 1921	Brownian Dynamics Simulations of Diffusion-Controlled Reactions with Finite Reactivity Gupta JS, Khakhar DV
1922 - 1930	The Effective-Mass of Excess Electrons in Condensed Xenon - Toward Methods for Modeling Metal-Dielectric Interfaces Bowen HF, Space B
1931 - 1935	Point-Ion Versus Density-Functional Calculations of Electric-Field Gradients in Ordered Gainp2 Wei SH, Zunger A
1936 - 1940	Vibrational Contributions to the Molecular First and 2nd Hyperpolarizabilities of a Push-Pull Polyene Kim HS, Cho MH, Jeon SJ
1941 - 1947	Folding a 20 Amino-Acid Alpha-Beta Peptide with the Diffusion Process-Controlled Monte-Carlo Method Derreumaux P
1948 - 1952	Theory of Nucleation from the Gas-Phase by a Sequence of Reversible Chemical-Reactions Girshick SL
1953 - 1962	Liquid-Liquid Phase-Separation in Supersaturated Lysozyme Solutions and Associated Precipitate Formation/Crystallization Muschol M, Rosenberger F
1963 - 1969	Thermodynamics and Elastic-Moduli of Fluids with Steeply Repulsive Potentials Heyes DM
1970 - 1980	Equilibrium Structure, Fluctuations, and Spectroscopy of a Solvated Electron in Methanol Turi L, Mosyak A, Rossky PJ
1981 - 1991	From Hydrophobic to Hydrophilic Behavior - A Simulation Study of Solvation Entropy and Free-Energy of Simple Solutes Lyndenbell RM, Rasaiah JC
1992 - 2011	A Computational Study of 13-Atom Ne-Ar Cluster Heat-Capacities Frantz DD
2012 - 2019	Gibbs Ensemble Monte-Carlo Simulation of the Properties of Water with a Fluctuating Charges Model Medeiros M, Costas ME
2020 - 2033	Large-Scale and Long-Time Molecular-Dynamics Study of Supercritical Lennard-Jones Fluid - An Analysis of High-Temperature Clusters Yoshii N, Okazaki S
2034 - 2045	Nonequilibrium Properties of Linear Polar Kihara Fluids from Molecular-Dynamics - Results for Models and for Liquid Acetonitrile Calero S, Garzon B, Macdowell LG, Lago S
2046 - 2059	Equilibrium States of Rigid Bodies with Multiple Interaction Sites - Application to Protein Helices Erman B, Bahar I, Jemigan RL
2060 - 2065	Turbidity of Critical Solutions of Polymethylmethacrylate in 3-Octanone An XQ, Shen WG, Xia KQ
2066 - 2078	Surface Reactivity of MgO Oxygen Vacancies - Electrostatic Mechanisms in the Formation of O-2(-) and Co- Species Ferrari AM, Pacchioni G
2079 - 2088	Angle-Resolved Ultraviolet Photoelectron-Spectroscopy of Thin-Films of bis(1,2,5-Thiadiazolo)-P-Quinobis (1,3-Dithiole) on the MoS2 Surface Ueno N, Kitamura A, Okudaira KK, Miyamae T, Harada Y, Hasegawa S, Ishii H, Inokuchi H, Fujikawa T, Miyazaki T, Seki K
2089 - 2095	Density-Fluctuations of Assemblies of Irreversibly Deposited Particles on Solid-Surfaces Bafaluy J, Schaaf P, Senger B, Voegel JC, Pagonabarraga I
2096 - 2107	Delay-Induced Chaos in Catalytic Surface-Reactions Khrustova N, Mikhailov AS, Imbihl R
2108 - 2121	Simulation of Single-Fiber Dynamics Skjetne P, Ross RF, Klingenberg DJ
2122 - 2141	Modeling and Structure of Mercury-Water Interfaces Shelley JC, Patey GN, Berard DR, Torrie GM
2142 - 2148	Prediction of Reentrant Swelling Behavior of Poly(N-Isopropyl Acrylamide) Gel in a Mixture of Ethanol-Water Using Lattice Fluid Hydrogen-Bond Theory Lele AK, Karode SK, Badiger MV, Mashelkar RA
2149 - 2159	Molecular-Dynamics Simulation of Moisture Diffusion in Polyethylene Beyond 10-Ns Duration Fukuda M, Kuwajima S
2160 - 2161	Theoretical-Study of Van-der-Waals Complexes of Al Atom with N-2 Chaban G, Gordon MS
2162 - 2163	Lattice Model of a Hydrogen-Bonded Polymer Blend (Vol 105, Pg 738, 1996) Hobbie EK, Han CC
2164 - 2165	On the Direct Calculation of Thermal Rate Constants .2. The Flux-Flux Autocorrelation Function with Absorbing Potentials, with Application to the O+hcl-)Oh+cl Reaction (Vol 106, Pg 142, 1997) Thompson WH, Miller WH