Journal of Chemical Physics

Journal of Chemical Physics, Vol.100, No.1 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (94 articles)

1 - 14	The Vibrational 2nd Overtones of HF Dimer - A Quartet Chang HC, Klemperer W
15 - 22	Structure of the Propene - Sulfur-Dioxide Complex Xu LW, Kuczkowski RL
23 - 27	The Effect of Pressure on the Fluorescence Lifetime of Pentacene in Para-Terphenyl at Low-Temperature Baer BJ, Chronister EL
28 - 43	Multiphoton Ionization of Uranium Hexafluoride Armstrong DP, Harkins DA, Compton RN, Ding D
44 - 51	Electronic Absorption-Spectra of Large Benzene - Arn Clusters Knochenmuss R, Ray D, Hess WP
52 - 62	Intermolecular Vibrations of the 2,3-Dimethylnaphthalene - Ar Van-der-Waals Complex - Experiment and Quantum 3-Dimensional Calculations Mandziuk M, Bacic Z, Droz T, Leutwyler S
63 - 69	Optical-Optical Double-Resonance Polarization Spectroscopy of Highly Excited-States of Na-23 K-39 Kasahara S, Ikoma H, Kato H
70 - 77	Electron-Energy-Loss Spectroscopy of the Low-Lying Triplet-States of Styrene Swiderek P, Fraser MJ, Michaud M, Sanche L
78 - 87	Molecular-Beam Stimulated-Emission Pumping Spectroscopy of Propynal Rogaski CA, Wodtke AM
88 - 97	The Nonlinear-Optical Spectrum of Polydiacetylene in the Near-Infrared Gass PA, Abram I, Raj R, Schott M
98 - 113	Wentzel-Kramers-Brillouin Theory of Multidimensional Tunneling - General-Theory for Energy Splitting Takada S, Nakamura H
114 - 129	An Interpretation of the Vibrational-Spectra of Insulating and Electrically Conducting Poly(3-Methylthiophene) Aided by a Theoretical Dynamical Model Hernandez V, Ramirez FJ, Otero TF, Navarrete JT
130 - 140	Suppression of Side-Band in Magic-Angle-Spinning Nuclear-Magnetic-Resonance - General-Principles and Analytical Solutions Antzutkin ON, Song ZY, Feng XL, Levitt MH
141 - 145	Vacuum-Ultraviolet Photolysis of N2H2 - Generation of NH Fragments Biehl H, Stuhl F
146 - 157	Toward a Working Theory of Polarized-Light Scattering from Helices Shapiro DB, Hull PG, Shi Y, Quinbyhunt MS, Maestre MF, Hearst JE, Hunt AJ
158 - 164	Experiment Versus Molecular-Dynamics Simulation - Spectroscopy of Ba-(Ar)N Clusters Visticot JP, Depujo P, Mestdagh JM, Lallement A, Berlande J, Sublemontier O, Meynadier P, Cuvellier J
165 - 174	A Study of the Singlet-Triplet Perturbations in the (A)over-Tilde 1Au State of Acetylene by High-Resolution Ultraviolet Spectroscopy Drabbels M, Heinze J, Meerts WL
175 - 180	An Ab-Initio Study of the Structure and Infrared-Spectrum of Si2C3 Rittby CM
181 - 185	Vibrational-Spectra of Penta-Atomic Silicon-Carbon Clusters .2. Linear Si2C3 Presillamarquez JD, Graham WR
186 - 196	On the Field-Ionization Spectrum of High Rydberg States Baranov LY, Kris R, Levine RD, Even U
197 - 203	Raman-Scattering by High-Density Dispersions .3. Calculation of Raman Intensities for Molecules Physisorbed on Linear-Chains of Spherical-Particles Xu ML, Dignam MJ
204 - 209	Fast-Ion Beam Laser Spectroscopy of N2O+ - Observation and Interpretation of the Fermi Resonance in the 100-Pi-2 Vibronic Level of the Ground-State Elidrissi MC, Larzilliere M, Carre M
210 - 214	Line Mixing Effects in the 00-Degrees-3-00-Degrees-0 Band of CO2 in Helium .1. Experiment Thibault F, Boissoles J, Ledoucen R, Menoux V, Boulet C
215 - 223	Line Mixing Effects in the 00-Degrees-3-00-Degrees-0 Band of CO2 in Helium .2. Theoretical-Analysis Boissoles J, Thibault F, Ledoucen R, Menoux V, Boulet C
224 - 237	The Fraternal-Twins of Quartet O-4+ Lindh R, Barnes LA
238 - 246	Double Modulation-High Resolution Infrared Spectroscopic Technique - The Upsilon-3 Band of the CH3 Radical and Excited-States of CH4 in a Hollow-Cathode Discharge Tanarro I, Sanz MM, Bermejo D, Domingo C, Santos J
247 - 251	Methane in Neon - Nearly Free Rotation in a Mismatched Guest-Host System Prager M, Asmussen B, Carlile CJ
252 - 261	Far-Infrared Spectra of HCl in Dense Ar and Time-Dependent Anisotropic Potential Autocorrelation Functions - A Molecular-Dynamics Study Medina A, Hernandez AC, Velasco S, Guardia E
262 - 270	Mechanistic Aspects of Fullerene Coalescence upon Ultraviolet-Laser Desorption from Thin-Films Beck RD, Weis P, Brauchle G, Kappes MM
271 - 286	Structure of Complex-Systems Using Electronic Excitation Transport - Theory, Monte-Carlo Simulations, and Experiments on Micelle Solutions Finger KU, Marcus AH, Fayer MD
287 - 300	O2(X,V=8-22) 300-K Quenching Rate Coefficients for O2 and N2, and O2(X) Vibrational Distribution from 248-nm O3 Photodissociation Park H, Slanger TG
301 - 303	Large Tunneling Frequencies of the Symmetrical Tops Nh3D+ and Nhd-3(+) in Crystalline Fields of Low-Symmetry Smith D
304 - 314	Quantum Effects in Ar+hf Rotationally Inelastic-Scattering - A Semiclassical Interpretation Barrett JJ, Mayne HR, Keil M
315 - 324	Fine-Structure Branching Ratios and Translational Energies of O(P-3(J)) Atoms Produced from Collision-Induced Intersystem Crossing of O(1D) Atoms Matsumi Y, Inagaki Y, Morley GP, Kawasaki M
325 - 333	A Wave Operator Description of Molecular Photodissociation Processes Using the Floquet Formalism Jolicard G, Killingbeck JP, Durand P, Heully JL
334 - 339	Activated Rate-Processes - A Relation Between Hamiltonian and Stochastic Theories Pollak E, Berezhkovskii AM, Schuss Z
340 - 349	Laser Control of Photopredissociation Angular-Distributions and Photoionization in Cl2 by 2 Color Interference Bandrauk AD, Gauthier JM, Mccann JF
350 - 356	Quantum Dynamics and Microcanonical Rate Theory Schofield SA, Wolynes PG
357 - 361	Thermal-Decomposition of H3O- Produced in Reaction of Oh- with H2CO Viggiano AA, Miller TM, Miller AE, Morris RA, Paulson JF, Brown ER, Sutton EA
362 - 378	Rotationally Inelastic and Hyperfine Resolved Cross-Sections for Oh-H2 Collisions - Calculations Using a New Ab-Initio Potential Surface Offer AR, Vanhemert MC, Vandishoeck EF
379 - 386	Wavelet Analysis of Time-Series for the Weakly Forced and Weakly Damped Morse Oscillator Permann D, Hamilton I
387 - 392	Kinetics of the Reaction of Hso with O3 at Temperatures 273-423 K Lee YY, Lee YP, Wang NS
393 - 401	Anisotropic Dissociation of Co Around the CK and OK Ionization Edges Bozek JD, Saito N, Suzuki IH
402 - 422	Quantum-Theory of Planar 4-Atom Reactions Echave J, Clary DC
423 - 433	Experimental and Theoretical-Study of Oxidative Addition-Reaction of Nickel Atom to O-H Bond of Water Mitchell SA, Blitz MA
434 - 443	Density-Functional Transition-States of Organic and Organometallic Reactions Stanton RV, Merz KM
444 - 451	Adiabatic Potential Curves and Nonadiabatic Coupling Functions for the 1st 5 Excited 1-Sigma-G+ States of the Hydrogen Molecule Wolniewicz L, Dressler K
452 - 458	The Ground-State of the Fe2 Molecule Noro T, Ballard C, Palmer MH, Tatewaki H
459 - 463	Complete Active Space Self-Consistent-Field and Density-Functional Study of Fno Dibble TS, Francisco JS, Deeth RJ, Hand MR, Williams IH
464 - 472	Efficient Implementation of the Hiller-Sucher-Feinberg Identity for the Accurate Determination of the Electron-Density Challacombe M, Cioslowski J
473 - 480	On the Perturbation of the (B) over-Tilde2A’ State of Hco by the 1-4A" and 1-4A’ States - Surfaces of Intersection and Spin-Orbit Interactions Manaa MR, Yarkony DR
481 - 489	Is There a Potential Minimum Corresponding to Singlet Methylnitrene - A Study of the Ch3N to Ch2Nh Rearrangement on the Lowest Singlet-State Potential-Energy Hypersurface Richards C, Meredith C, Kim SJ, Quelch GE, Schaefer HF
490 - 506	Effective Core Potential-Configuration Interaction Study of Electronic-Structure and Geometry of Small Anionic Ag-N Clusters - Predictions and Interpretation of Photodetachment Spectra Bonacickoutecky V, Cespiva L, Fantucci P, Pittner J, Koutecky J
507 - 517	Random-Phase-Approximation for Complex Charged Systems - Application to Copolyelectrolytes (Polyampholytes) Gonzalezmozuelos P, Delacruz MO
518 - 527	A Site Site Born-Green-Yvon Equation for Hard-Sphere Dimers Taylor MP, Lipson JE
528 - 531	Homocoordination and Heterocoordination in Nonadditive Hard-Sphere Mixtures and a Test of the Van-der-Waals One-Fluid Model Jung JY, Jhon M, Ree FH
532 - 540	Transient Nucleation in Binary Vapor of Water and Sulfuric-Acid Nishioka K, Fujita K
541 - 547	Comparison of Constant-Pressure and Constant Volume Nonequilibrium Simulations of Sheared Model Decane Daivis PJ, Evans DJ
548 - 555	Analytic Solution of the Restricted Primitive Model of Electrolyte-Solutions with Double Sticky Interaction Between the Oppositely Charged Ions Pizio OA
556 - 559	Molecular-Dynamics Study of the Curvature Correction to the Surface-Tension Haye MJ, Bruin C
560 - 565	Molecular-Dynamics and Mean Spherical Approximation Results for Symmetrical Nonadditive Hard-Core Yukawa Mixtures Rey C, Gonzalez LE, Gallego LJ, Gonzalez DJ
566 - 576	Constant-Temperature Molecular-Dynamics Simulations by Means of a Stochastic Collision Model .1. Noninteracting Particles Kast SM, Nicklas K, Bar HJ, Brickmann J
577 - 585	Predictions of Free-Energy Differences from a Single Simulation of the Initial-State Smith PE, Vangunsteren WF
586 - 590	Transport-Properties and Interaction Potential for Na+ Ions in Xe Gas Tan TL, Ong PP, Hogan MJ
591 - 603	Asymptotic Decay of Correlations in Liquids and Their Mixtures Evans R, Decarvalho RJ, Henderson JR, Hoyle DC
604 - 609	Behavior of Density and Refractive-Index in Mixtures of 2,6-Lutidine and Water Jayalakshmi Y, Vanduijneveldt JS, Beysens D
610 - 621	Quantum Scattering Studies of Vibrational-Excitation in Collisions of No(X 2-Pi) with a Ag(111) Surface Gregurick S, Alexander MH, Depristo AE
622 - 627	Ionization-Potentials of Caf and BaF Jakubek ZJ, Harris NA, Field RW, Gardner JA, Murad E
628 - 630	Site-Specific Coadsorption at Pt(335) as Probed by Infrared-Spectroscopy - Structural Alterations in the Co Adlayer Under Aqueous Electrochemical Conditions Kim CS, Korzeniewski C, Tornquist WJ
631 - 635	Monte-Carlo Study of Pancake to Brush Transition Chakrabarti A
636 - 639	Shape Asymmetry of Random-Walks and Nonreversal Random-Walks Zifferer G, Olaj OF
640 - 648	The Growth of Polymer Crystals at the Transition from Extended Chains to Folded Chains Higgs PG, Ungar G
649 - 658	Equilibrium and Dynamic Properties of Polymethylene Melts from Molecular-Dynamics Simulations .1. N-Tridecane Smith GD, Yoon DY
659 - 663	Structural Determination of a NiO(111) Film on Ni(100) by Dynamical Low-Energy Electron-Diffraction Analysis Warren OL, Thiel PA
664 - 670	Adsorption-Kinetics on Chemically-Modified or Bimetallic Surfaces Xu C, Koel BE
671 - 681	Inversion for Dielectric-Relaxation Spectra Morgan FD, Lesmes DP
682 - 686	Anisotropic Stress in a Confined Chain - Excluded-Volume Effects Gao J, Weiner JH
687 - 704	Scanning-Tunneling-Microscopy (STM) Studies of the Chemical-Vapor-Deposition of Ge on Si(111) from Ge Hydrides and a Comparison with Molecular-Beam Epitaxy Wintterlin J, Avouris P
705 - 718	Lattice Theory of Solvation and Dissociation in Macromolecular Fluids .1. Mean-Field Approximation Olender R, Nitzan A
719 - 724	Measuring the Chemical-Potential of Polymer-Solutions and Melts in Computer-Simulations Muller M, Paul W
725 - 728	On the Factors Determining the Isomers of Metal-Clusters Yang LQ, Depristo AE
729 - 732	Contaminated Torsional Tunneling Splittings in 5 Normal-Mode Vibrations of Propene Ainetschian A, Fraser GT, Ortigoso J, Pate BH
733 - 735	Quantum-Mechanical Calculation of the Rate-Constant for the Reaction H+o2-)Oh+o Leforestier C, Miller WH
736 - 739	Vibrationally Assisted Electronic Desorption - Femtosecond Surface-Chemistry of O2/Pd(111) Misewich JA, Kalamarides A, Heinz TF, Hofer U, Loy MM
740 - 743	Effect of Reagent Alignment on the Product State Distribution in the Reaction Sr+hf(V=1,J=1)-)SRF(V’,J’)+h Loesch HJ, Stienkemeier F
744 - 745	Laser Double-Resonance Study of Collisional Removal of O2(A3-Sigma-U(+),Nu=7) with O2 Copeland RA
746 - 747	Rotational Diffusion of Rhodamine 6G Depends on Structural Features of Water and Polyvinyl Pyrrolidone Mixtures Ko DS
748 - 749	Interpenetrations in Polymer Brushes Chakrabarti A, Nelson P, Toral R
750 - 751	Evidence for the Stabilization of Rectangular O4(+) in Solid Neon Jacox ME, Thompson WE
752 - 753	Solid-State Proton Spin Relaxation and Methyl and T-Butyl Reorientation Beckmann PA, Alhallaq HA, Fry AM, Plofker AL, Roe BA, Weiss JA
754 - 755	Competition Between Atomic Shell and Electronic Shell Structures in Aluminum Clusters Baguenard B, Pellarin M, Lerme J, Vialle JL, Broyer M
756 - 757	Crossed-Beam (Full Collision) Versus Van-der-Waals (Half-Collision) Studies - Application to the Determination of the D00(Ca...HCl) Menendez M, Garay M, Verdasco JE, Urena AG
758 - 759	Angle-Velocity Contour Maps for the H+d2-)Hd+d Reaction from Quasi-Classical Trajectory Calculations Aoiz FJ, Herrero VJ, Puentedura O, Rabanos VS
760 - 760	Theoretical-Studies of H-2 Desorption from Si(100)-2X1H (Vol 98, Pg 7466, 1993) Jing Z, Whitten JL