Journal of Chemical Physics

Journal of Chemical Physics, Vol.100, No.4 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (107 articles)

2407 - 2412	Dynamical Structure of Water in Aqueous-Solutions of D-Glucose and D-Galactose by Low-Frequency Raman-Scattering Wang Y, Tominaga Y
2413 - 2421	Determination of the Threefold Internal-Rotation Barrier Arnh3 Grushow A, Burns WA, Reeve SW, Dvorak MA, Leopold KR
2422 - 2428	Spectroturbidimetry Theory for Determining Orientation Distributions of Spheroidal Particles in Tile Rayleigh-Debye-Gans and Rayleigh-Scattering Regimes Buehler CS, Caruthers JM, Franses EI
2429 - 2436	Picosecond Vibrational Dynamics of Several S-1 Bands in Jet-Cooled P-Difluorobenzene Zhang X, Smith JM, Knee JL
2437 - 2448	2-Dimensional Electron-Paramagnetic-Resonance Spectroscopy of Nitroxides - Elucidation of Restricted Molecular Motions in Glassy Solids Dubinskii AA, Maresch GG, Spiess HW
2449 - 2457	Vibrational Studies on Electronic-Structures in Metallic and Insulating Phases of the Cu Complexes of Substituted Dicyanoquinonediimines (DCNQI) - A Comparison with the Cases of the Li and Ba Complexes Yamakita Y, Furukawa Y, Kobayashi A, Tasumi M, Kato R, Kobayashi H
2458 - 2464	The S-0(1A(G))-S-1(1B(2)U) Vibronic Transition in Benzene - An Ab-Initio Study Orlandi G, Palmieri P, Tarroni R, Zerbetto F, Zgierski MZ
2465 - 2480	Cooperative Ultrafast Nonlinear-Optical Response of Molecular Nanostructures Wang NJ, Chernyak V, Mukamel S
2481 - 2486	Rise Profile of the Thermal Lens Signal - Contribution of the Temperature Lens and the Population Lens Terazima M, Hirota N
2487 - 2491	Detection of Oh+ in Its a (1)Delta State by Far-Infrared Laser Magnetic-Resonance Varberg TD, Evenson KM, Brown JM
2492 - 2504	Excited-State Structure and Photochemical Ring-Opening Dynamics of 1,3,5-Cyclo-Octatriene from Absolute Resonance Raman Intensities Lawless MK, Mathies RA
2505 - 2521	Atom-Spherical Top Van-der-Waals Complexes - A Theoretical-Study Hutson JM, Thornley AE
2522 - 2530	Bipolarons and the Temperature-Dependence of Exchange in the Metal Trihydrides Hiller EM, Harris RA
2531 - 2536	On the Preparation and Measurement of Superpositions of Chiral Amplitudes Cina JA, Harris RA
2537 - 2546	A Near-Wing Correction to the Quasi-Static Far-Wing Line-Shape Theory Ma Q, Tipping RH
2547 - 2560	Spectral-Line Shapes of Damped Quantum Oscillators - Applications to Biomolecules Gu YG, Widom A, Champion PM
2561 - 2570	Dynamics in Supercooled Glycerol by High-Resolution Stimulated Brillouin Gain Spectroscopy Grubbs WT, Macphail RA
2571 - 2587	The Vibronic Structure of the S-0(--)S-1 and S-0(--)S-2 Transitions in Simple Oligomers of Thiophene Negri F, Zgierski MZ
2588 - 2595	Reinvestigation of the Acetylenic C-H Stretching Fundamental of Propyne via High-Resolution, Optothermal Infrared-Spectroscopy - Nonresonant Perturbations to Upsilon-1 Kerstel ER, Lehmann KK, Pate BH, Scoles G
2596 - 2611	Sub-Doppler, Infrared-Laser Spectroscopy of the Propyne 2-Nu(1) Band - Evidence of Z-Axis Coriolis Dominated Intramolecular State Mixing in the Acetylenic CH Stretch Overtone Mcilroy A, Nesbitt DJ, Kerstel ER, Pate BH, Lehmann KK, Scoles G
2612 - 2622	Eigenstate Resolved Infrared/Infrared Double-Resonance Spectroscopy of the 3-Nu(1) Overtone Band of 1-Propyne - Intramolecular Vibrational-Energy Redistribution into a Coriolis-Coupled Bath Gambogi JE, Kerstel ER, Lehmann KK, Scoles G
2623 - 2628	Collisional and Electric-Field Effects in the Delayed Pulsed-Field Ionization Zero-Kinetic-Energy Photoelectron-Spectrum of Argon Merkt F
2629 - 2636	Low-Energy-Electron Attachment to Clusters of Nitric-Oxide Carman HS
2637 - 2650	Chemiluminescent Reactions of Group 2 (Ca, Sr, and Ba) Elements with H2O2, T-Buooh, HNO3, and NO2 - Reactivities and Product State Distributions Cheong BS, Parson JM
2651 - 2660	Quantum Rates for Nonadiabatic Electron-Transfer Egger R, Mak CH, Weiss U
2661 - 2670	Analysis of Long-Range Dispersion and Exchange Interactions Between 2 Na Atoms Zemke WT, Stwalley WC
2671 - 2676	Why Quasi-Classical Cross-Sections Can Be Rotationally and Vibrationally Hot Mandy ME, Martin PG, Keogh WJ
2677 - 2689	Pressure Broadening and Collisional Narrowing in Oh(V=1(-0) Rovibrational Transitions with Ar, He, O-2, and N-2 Schiffman A, Nesbitt DJ
2690 - 2696	Fine-Structure Transitions in Metastable Ne-Asterisk(P-3(0,2)) Colliding with Ground-State Rare-Gases at Thermal Energies Ferkel H, Koch A, Feltgen R
2697 - 2706	Accurate Quantum Calculations for H-2+oh-)H2O+h - Reaction Probabilities, Cross-Sections, and Rate Constants Zhang DH, Zhang JZ
2707 - 2716	Nonadiabatic Photodissociation Dynamics of ICN in the a Continuum - A Semiclassical Study Wang YF, Qian CX
2717 - 2727	Chemical Relaxation of H-Bonds in Formic-Acid Vapor Studied by Resonant Photoacoustic-Spectroscopy Winkler A, Mehl JB, Hess P
2728 - 2742	Quantum Scattering Studies of Long-Lived Resonances for the Reaction Ne+h-2(+)-)Neh++h Kress JD, Walker RB, Hayes EF, Pendergast P
2743 - 2747	Crystallization Kinetics of Water Below 150 K Hage W, Hallbrucker A, Mayer E, Johari GP
2748 - 2753	Effects of Rotational, Vibrational, and Translational Energy on the Rate Constants for the Isotope-Exchange Reactions Oh-+d-2 and OD-+h-2 Viggiano AA, Morris RA
2754 - 2764	Vector Correlations in the Reaction O(P-3)+cs(X(1)Sigma(+))-)Co(X(1)Sigma(+))+s(P-3) Costen ML, Hancock G, Orrewing AJ, Summerfield D
2765 - 2776	Ionization Induced Fragmentation of Size-Selected Neutral Sodium Clusters Bewig L, Buck U, Mehlmann C, Winter M
2777 - 2788	Molecular-Dynamics of Thermal-Dissociation in Liquid N2O4 Kato T, Hayashi S, Oobatake M, Machida K
2789 - 2799	The D+h-2(V=1,J)-)HD(V’j’)+h Reaction - A Detailed Quasi-Classical Trajectory Study Aoiz FJ, Buchenau HK, Herrero VJ, Rabanos VS
2800 - 2807	Force Balance and Force Relay in Molecular-Interactions - An Analysis Based on Nonlocal Polarizability Densities Liu PH, Hunt KL
2808 - 2820	Molecular Photoionization Cross-Sections by the Lobatto Technique .1. Valence Photoionization Wilhelmy I, Ackermann L, Gorling A, Rosch N
2821 - 2830	Bond-Energies, Ionization-Potentials, and the Singlet-Triplet Energy Separations of Sncl2, Snbr2, Sni2, PbCl2, Pbbr2, Pbi2, and Their Positive-Ions Benavidesgarcia M, Balasubramanian K
2831 - 2837	A Theoretical-Study of the Influence of the Surface on the Electronic-Structure of CdSe Nanoclusters Hill NA, Whaley KB
2838 - 2850	Benchmark Calculations with Correlated Molecular Wave-Functions .5. The Determination of Accurate Ab-Initio Intermolecular Potentials for He-2, Ne-2, and Ar-2 Woon DE
2851 - 2864	Energy-Structure Relationships for Microscopic Solvation of Anions in Water Clusters Combariza JE, Kestner NR, Jortner J
2865 - 2870	A Water-Water Potential Derived Using a Quantum Monte-Carlo Vibrational Analysis Franken KA, Dykstra CE
2871 - 2877	Structure, Vibrational Frequencies, and Thermodynamic Properties of Hydrogen-Peroxide Dimers - An Ab-Initio Molecular-Orbital Study Mo O, Yanez M, Rozas I, Elguero J
2878 - 2887	Atomic Orbital Basis-Set Optimization for Ab-Initio Calculations of Molecules with Hydrogen-Atoms in Strong Magnetic-Fields Kappes U, Schmelcher P
2888 - 2895	Effects of the Magnetic Part of the Breit Term on the (2)Pi States of Diatomic Hydrides Baeck KK, Lee YS
2896 - 2899	A Computational Study of the Reaction of the Fo Radical with H-2 Francisco JS
2900 - 2909	Natural Energy Decomposition Analysis - An Energy Partitioning Procedure for Molecular-Interactions with Application to Weak Hydrogen-Bonding, Strong Ionic, and Moderate Donor-Acceptor Interactions Glendening ED, Streitwieser A
2910 - 2923	Density-Functional Study of Nitrogen-Oxides Stirling A, Papai I, Mink J, Salahub DR
2924 - 2931	Ab-Initio Predictions of the Structures and Spectra of Some Simple Thiosulfeno (xS(2)) Free-Radicals Zhuo Q, Clouthier DJ, Goddard JD
2932 - 2935	Multipole Polarizabilities of the Helium Atom and Collision-Induced Polarizabilities of Pairs Containing He or H-Atoms Fowler PW, Hunt KL, Kelly HM, Sadlej AJ
2936 - 2942	Theoretical-Study of Electron-Spin-Resonance Parameters - H2Cn and H2Co+ Suter HU, Engels B
2943 - 2946	Excited-States of MgO - A Cluster Model Study Bagus PS, Illas F, Sousa C
2947 - 2952	Ionization-Potentials of CH2 - A Comparison of the Multiconfigurational Spin Tensor Electron Propagator Method with Benchmark Full Configuration-Interaction and Large-Scale Multireference Configuration-Interaction Calculations Nichols JA, Heryadi D, Yeager DL, Golab JT
2953 - 2974	Path-Integral Formulation of Retardation Effects in Nonlinear Optics Chernyak V, Mukamel S
2975 - 2988	Gaussian-Basis Sets for Use in Correlated Molecular Calculations .4. Calculation of Static Electrical Response Properties Woon DE, Dunning TH
2989 - 3001	Spin-Orbit Configuration-Interaction Study of the Potential-Energy Curves and Radiative Lifetimes of the Low-Lying States of Bismuth Hydride Alekseyev AB, Buenker RJ, Liebermann HP, Hirsch G
3002 - 3012	Proper Integral-Equations for Interaction-Site Fluids - Exact Free-Energy Expressions Lue L, Blankschtein D
3013 - 3018	Polaron Theory of an Excess Electron in Xenon Chen JQ, Miller BN
3019 - 3027	The Reaction Ensemble Method for the Computer-Simulation of Chemical and Phase-Equilibria .1. Theory and Basic Examples Smith WR, Triska B
3028 - 3038	The Role of Electron-Electron Interactions in Liquids Kavanaugh TC, Stratt RM
3039 - 3047	A Path-Integral Study of Electronic Polarization and Nonlinear Coupling Effects in Condensed-Phase Proton-Transfer Reactions Lobaugh J, Voth GA
3048 - 3059	Statistical Thermodynamics in the Classical Molecular-Dynamics Ensemble .1. Fundamentals Lustig R
3060 - 3067	Statistical Thermodynamics in the Classical Molecular-Dynamics Ensemble .2. Application to Computer-Simulation Lustig R
3068 - 3078	Statistical Thermodynamics in the Classical Molecular-Dynamics Ensemble .3. Numerical Results Lustig R
3079 - 3084	First-Order Radial-Distribution Functions Based on the Mean Spherical Approximation for Square-Well, Lennard-Jones, and Kihara Fluids Tang YP, Lu BC
3085 - 3093	Structures of Cl-(H2O)(N) and F-(H2O)(N) (N=2,3,...,15) Clusters - Molecular-Dynamics Computer-Simulations Perera L, Berkowitz ML
3094 - 3106	Heat-Capacity Extrema - Solution of the Ornstein-Zernike Equation in the Percus-Yevick Approximation for the Truncated Lennard-Jones Fluid Freasier BC, Bearman RJ
3107 - 3113	Self-Association of Monohydric Alcohols in Water - Compressibility and Infrared-Absorption Measurements Dangelo M, Onori G, Santucci A
3114 - 3121	Melting of 2-Dimensional Colloidal Crystals - A Simulation Study of the Yukawa System Naidoo KJ, Schnitker J
3122 - 3126	Pulsed-Neutron Diffraction Study on Lithium-(I) Hydration in Supercooled Aqueous Chloride Solutions Yamagami M, Yamaguchi T, Wakita H, Misawa M
3127 - 3141	Reptation as a Dynamic Mean-Field Theory - Self and Tracer Diffusion in a Simple-Model of Rodlike Polymers Szamel G, Schweizer KS
3142 - 3148	Equation of State for Hard Convex Body-Fluids from the Equation of State of the Hard-Sphere Fluid Maeso MJ, Solana JR
3149 - 3151	Viscosities of a Series of Gaseous Fluorocarbons at 25-Degrees-C Dunlop PJ
3152 - 3162	Macromolecular Electrostatic Energy Within the Nonlinear Poisson-Boltzmann Equation Zhou HX
3163 - 3168	Randomly Affected Monomolecular Reactions Berlin YA, Drobnitsky DO, Kuzmin VV
3169 - 3174	Consistent Dielectric-Properties of the Simple Point-Charge and Extended Simple Point-Charge Water Models at 277 and 300 K Smith PE, Vangunsteren WF
3175 - 3180	Monte-Carlo Investigation of Surface Self-Diffusion - The Role of Anisotropic Next-Nearest-Neighbor Interactions Pekalski A, Ausloos M
3181 - 3186	Density-Functional Theory for Inhomogeneous Polymer-Solutions Woodward CE, Yethiraj A
3187 - 3200	Adsorption and Photodecomposition of Mo(Co)(6) on Si(111) 7X7 - An Infrared Reflection-Absorption Spectroscopy Study Richter LJ, Buntin SA, Chu PM, Cavanagh RR
3201 - 3209	Radial-Dimensions of Starburst Polymers Biswas P, Cherayil BJ
3210 - 3223	Pressure Isotherms, Phase-Transition, Instability, and Structure of Tethered Polymers in Good, Theta, and Poor Solvents Carignano MA, Szleifer I
3224 - 3232	A Neutron-Scattering Study of Shear-Induced Turbidity in Polystyrene Dissolved in Dioctyl Phthalate Nakatani AI, Douglas JF, Ban YB, Han CC
3233 - 3246	The Elasticity of Ideal Polymer-Chains Altenberger AR, Rosa E, Dahler JS
3247 - 3251	Vibrational-Energy Relaxation Dynamics of C-H Stretching Modes on the Hydrogen-Terminated H/C(111)1X1 Surface Sun YC, Gai HD, Voth GA
3252 - 3257	N-Propanol on Graphite - The Occurrence of 2-Dimensional Smectic Mesophase Morishige K
3258 - 3267	Dynamic-Mechanical and Light-Scattering Study of the Glass-Transition of Poly(Vinylacetate) and a Poly(Vinylacetate) Plus Poly(4-Hydroxystyrene) Blend Luengo G, Ortega F, Rubio RG, Rey A, Prolongo MG, Masegosa RM
3268 - 3275	Delayed Appearance of the Liquid-Condensed Phase in 1-Octadecanol Films on Levitated Waterdrops Frost AE, Seaver M, Rubel GO
3276 - 3285	Confined Thin-Films of a Linear and Branched Octane - A Comparison of the Structure and Solvation Forces Using Molecular-Dynamics Simulations Wang YT, Hill K, Harris JG
3286 - 3296	Composition Fluctuation-Induced Depolarized Rayleigh-Scattering from Diblock Copolymer Melts Jian T, Semenov AN, Anastasiadis SH, Fytas G, Yeh FJ, Chu B, Vogt S, Wang F, Roovers JE
3297 - 3300	Investigation of the Surface-Morphology of Capped CdSe Nanocrystallites by P-31 Nuclear-Magnetic-Resonance Becerra LR, Murray CB, Griffin RG, Bawendi MG
3301 - 3306	Electronic-Structure of Polyparaphenylene Vinylene Copolymers - The Relationship to Light-Emitting Characteristics Dossantos DA, Quattrocchi C, Friend RH, Bredas JL
3307 - 3316	Molecular-Dynamics CT Water in Oriented DPPC Multilayers Studied by Quasi-Elastic Neutron-Scattering and Deuterium-Nuclear Magnetic-Resonance Relaxation Konig S, Sackmann E, Richter D, Zorn R, Carlile C, Bayerl TM
3317 - 3324	Viscosity of Dilute Suspensions of Rodlike Particles - A Numerical-Simulation Method Yamamoto S, Matsuoka T
3325 - 3333	Time-Resolved Degenerate 4-Wave-Mixing Studies of Solid-State Poly(P-Phenylene) Oligomers Marcy HO, Rosker MJ, Warren LF, Reinhardt BA, Sinclair M, Seager CH
3334 - 3345	A Comparison of the Structure and Dynamics of Liquid Water at Hydrophobic and Hydrophilic Surfaces - A Molecular-Dynamics Simulation Study Lee SH, Rossky PJ
3346 - 3350	The Influence of Guest-Host Interactions on the Guest Molecule in Intercalated Aluminosilicate Compounds Holtz M, Park TR, Amarasekera J, Solin SA, Pinnavaia TJ
3351 - 3357	Binary Mixture of Grafted Polymer-Chains - A Monte-Carlo Simulation Lai PY
3358 - 3360	Measurement of the X(2)Sigma(+)-A(2)Pi Splitting in Cso via Photoelectron-Spectroscopy of Cso- Sarkas HW, Hendricks JH, Arnold ST, Slager VL, Bowen KH
3361 - 3364	Structure of Confined Alkane Liquids Walley KP, Schweizer KS, Peanasky J, Cai L, Granick S
3365 - 3366	Conformational Properties and Apparent Dissociation-Constants of Titrating Polyelectrolytes - Monte-Carlo Simulation and Scaling Arguments Ullner M, Jonsson B, Widmark PO
3367 - 3368	On the Time Evolution of Spin Operators Under the Influence of a Zero-Field Splitting Hamiltonian Baram A
3369 - 3370	Electron-Paramagnetic-Resonance Spectroscopic Study of the Gallium Trimer, Ga-3 Howard JA, Joly HA, Mile B
3371 - 3371	Many-Body Calculations of the Core Excitation-Spectra of Co and Nico - Disappearance of the Giant Shake-Up Satellite (Vol 98, Pg 8070, 1993) Ohno M, Decleva P