Journal of Chemical Physics

Journal of Chemical Physics, Vol.101, No.5 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (122 articles)

3421 - 3435	Large-Amplitude Skeletal Isomerization as a Promoter of Intramolecular Vibrational-Relaxation in CH Stretch Excited Hydrocarbons Mcllroy A, Nesbitt DJ
3436 - 3443	Phonon Relaxation Processes in Crystals (NaNO3) at High-Pressure and Low-Temperature Jordan M, Schuch A, Righini R, Signorini GF, Jodl HJ
3444 - 3452	Line Shape Asymmetries in Ar-Broadened HF(V=1-0) in the Dicke-Narrowing Regime Pine AS
3453 - 3458	Dynamical Structure of Water in Aqueous-Electrolyte Solutions Low-Frequency Raman-Scattering Wang Y, Tominaga Y
3459 - 3463	On the Measurement of Superpositions of Chiral Amplitudes by Polarized-Light Scattering Harris RA, Shi YM, Cina JA
3464 - 3471	Tunneling Splittings in the S-1 Electronic States of Symmetrically Substituted 3,7-Dichlorotropolone, 3,5,7-Trichlorotropolone, and 3,7-Dibromotropolone Sekiya H, Tsuji T, Ito S, Mori A, Takeshita H, Nishimura Y
3472 - 3487	Monte-Carlo Simulations of the Structures and Optical-Absorption Spectra of Na Atoms in Ar Clusters, Surfaces, and Solids Boatz JA, Fajardo ME
3488 - 3494	Coherent Anti-Stokes-Raman Spectroscopy of Shock-Compressed Liquid Nitrogen/Argon Mixtures Moore DS, Schmidt SC, Shaw MS
3495 - 3505	On the Lifetimes of Rydberg States Probed by Delayed Pulsed-Field Ionization Merkt F, Zare RN
3506 - 3513	Optical-Absorption Spectra of Au-7, Au-9, Au-11 and Au-13 and Their Cations - Gold Clusters with 6, 7, 8, 9, 10, 11, 12, and 13 S-Electrons Collings BA, Athanassenas K, Lacombe D, Rayner DM, Hackett PA
3514 - 3519	Hyperfine-Structure of Pendular States and the Sign of the Dipole-Moment of ICI-A-State Durand A, Loison JC, Vigue J
3520 - 3523	Electronic Decay Processes Following the Resonance Excitation of the B-1S-Core Electron in BF3 Ueda K, Chiba H, Sato Y, Hayaishi T, Shigemasa E, Yagishita A
3524 - 3530	Rotational Analyses and Angular-Momentum Assignments of (Pi(3/2)(2))4D Rydberg States of Br-2 Xu L, Wang YF, Wang PN, Li FM
3531 - 3537	Algebraic Approach to Molecular Rotation-Vibration Spectra - Rotation-Vibration Interactions Iachello F, Oss S, Viola L
3538 - 3548	9.6-GHz and 34-GHz Electron-Paramagnetic-Resonance Studies Chromium-Doped Forsterite Budil DE, Park DG, Burlitch JM, Geray RF, Dieckmann R, Freed JH
3549 - 3557	Observation of the Pf2 Radical by Resonance-Enhanced Multiphoton Ionization Spectroscopy Howe JD, Ashfold MN, Hudgens JW, Johnson RD
3558 - 3572	Electron-Momentum-Specific Valence-Shell Electronic-Structure of and Many-Body Effects in Cis-Dichloroethylene - Ionic-State-Resolved Orientationally Averaged Electron Momentum Density-Measurement by Symmetrical Noncoplanar (E,2E) Spectroscopy Mei L, Chuaqui M, Mathers CP, Ying JF, Leung KT
3573 - 3580	Spectral Moments of Collision-Induced Absorption of CO2 Pairs - The Role of the Intermolecular Potential Gruszka M, Borysow A
3581 - 3587	The Doubly-Excited 1-(3)-Sigma(G)(-) State of Li-7(2) Yiannopoulou A, Ji B, Li L, Li M, Urbanski K, Lyyra AM, Stwalley WC, Jeung GH
3588 - 3602	Dipole-Moment Function and Equilibrium Structure of Methane in an Analytical, Anharmonic 9-Dimensional Potential Surface Related to Experimental Rotational-Constants and Transition Moments by Quantum Monte-Carlo Calculations Hollenstein H, Marquardt RR, Quack M, Suhm MA
3603 - 3609	Calculation of the Intermolecular Bound-States for Water Dimer Althorpe SC, Clary DC
3610 - 3617	The Vibrational-Spectrum of Isolated Aih4(-) - an Infrared Matrix-Isolation and Ab-Initio Study Pullumbi P, Bouteiller Y, Manceron L
3618 - 3633	Rotation-Vibration State-Resolved Unimolecular Dynamics of Highly Vibrationally Excited Ch3O ((X)over-Tilde(2)E) .1. Observed Stimulated-Emission Pumping Spectra Geers A, Kappert J, Temps F, Wiebrecht JW
3634 - 3648	Rotation-Vibration State-Resolved Unimolecular Dynamics of Highly Excited Ch3O((X)over-Tilde(2)E) .2. Intramolecular Vibrational Dynamics of Excited C-O Stretch States Geers A, Kappert J, Temps F, Wiebrecht JW
3649 - 3655	The Decay of Triplet Pyrazine and Pyrazine-D-4, in Supersonic Jets - Isotope Effects Becker I, Cheshnovsky O
3656 - 3661	2-Dimensional Potential-Energy Surfaces for CH(X(2)Pi)+n-2(X(1)Sigma(G)(+))-)HCN(X(1)Sigma(+))+n(S-4) Seideman T, Walch SP
3662 - 3670	Resonances in the Ch+n-2-)Hcn+n(S-4) Reaction - The Dynamics of a Spin-Forbidden Process Seideman T
3671 - 3678	Quantum Reactive Scattering with a Deep-Well - Time-Dependent Calculation for H+o-2 Reaction and Bound-State Characterization for HO2 Zhang DH, Zhang JZ
3679 - 3687	Time-Resolved Fourier-Transform Infrared Study of the Photodissociation of 1,1-Difluoroethene at 193-nm Hall GE, Muckerman JT, Preses JM, Weston RE, Flynn GW, Persky A
3688 - 3695	Charge-Transfer Reaction of N-14,N-15(+)(P-3(J))+n-2((1)Sigma(G)(+)) from Thermal to 100-eV - Crossed-Beam and Scattering-Cell Guided-Ion Beam Experiments Freysinger W, Khan FA, Armentrout PB, Tosi P, Dmitriev O, Bassi D
3696 - 3703	Electron-Impact Dissociation of HCl - Translational Energy and Angular-Distributions of Excited Hydrogen-Atoms Ogawa T, Tsuboi T, Nakashima K
3704 - 3714	Mode-Selective Chemistry in the Reactions of Oh with HBr and HCl Clary DC, Nyman G, Hernandez R
3715 - 3722	The Effect of Control Field and Measurement Imprecision on Laboratory Feedback-Control of Quantum-Systems Toth GJ, Lorincz A, Rabitz H
3723 - 3728	Kohn Variational Principle for a General Finite-Range Scattering Functional Brown D, Light JC
3729 - 3741	Statistical Effects in the Skeletal Inversion of Bicyclo(2.1.0) Pentane Sorescu DC, Thompson DL, Raff LM
3742 - 3749	Site-Selective Fragmentation in Core-Excited Bromo-Chloro-Alkanes (Br(CH2)(N)Cl) Schmelz HC, Reynaud C, Simon M, Nenner I
3750 - 3762	Rearrangements of 55-Atom Lennard-Jones and (C-60)(55) Clusters Wales DJ
3763 - 3771	Guided Ion-Beam Measurement of the Product Branching Ratios for the Ion-Molecule Reaction N++o-2 as a Function of Collision Energy Guettler RD, Jones GC, Posey LA, Kirchner NJ, Keller BA, Zare RN
3772 - 3786	Influence of Vibrational-Excitation and Collision Energy on the Ion-Molecule Reaction Nh3+(Nu(2))+nd3 Posey LA, Guettler RD, Kirchner NJ, Zare RN
3787 - 3791	Ultraviolet Photodissociation Dynamics of Methyl-Iodide at 333-nm Fairbrother DH, Briggman KA, Weitz E, Stair PC
3792 - 3801	Dissociation of Kr2+, N2Ar+, (Co)(2)(+), Ch5+, and C2H5+ Ions Drifting in He Glosik J, Skalsky V, Praxmarer C, Smith D, Freysinger W, Lindinger W
3802 - 3805	Toeplitz Matrices Within Dvr Formulation - Application to Quantum Scattering Problems Eisenberg E, Ron S, Baer M
3806 - 3818	Theoretical-Study of the Ultraviolet Photodissociation of Ozone - Comparison with Experiments Leforestier C, Lequere F, Yamashita K, Morokuma K
3819 - 3830	The Vacuum-Ultraviolet Photodissociation of NH2((X)over-Tilde(2)B(1))-)NH(A(3)Pi)+h Biehl H, Schonnenbeck G, Stuhl F, Staemmler V
3831 - 3839	The Structure and Dynamics of the Cs2 Molecular Ion Sohlberg K, Chen YB
3840 - 3843	Pitchfork and Winged-Cusp Singularities in Iodate-Arsenious Acid Reaction Li RS
3844 - 3851	Theory of One-Photon and 2-Photon Dissociation with Strong Laser-Pulses Shapiro M
3852 - 3856	Electronic-Energy Transfer Kinetics of Xe+(P-2(1/2)) at Very-Low Temperatures Latimer DR, Smith MA
3857 - 3861	The Dissociation-Energy of CN and C-2 Pradhan AD, Partridge H, Bauschlicher CW
3862 - 3865	Exponential Transformation of Molecular-Orbitals Hutter J, Parrinello M, Vogel S
3866 - 3887	Study of the Electronic States of the Benzene Molecule Using Spin-Coupled Valence-Bond Theory Dasilva EC, Gerratt J, Cooper DL, Raimondi M
3888 - 3897	Analytical Derivatives for Molecular Solutes .2. Hartree-Fock Energy First-Derivative and 2nd-Derivative with Respect to Nuclear Coordinates Cammi R, Tomasi J
3898 - 3905	An Ab-Initio Molecular-Orbital Study of the Structures and Energetics of the Neutral and Cationic CuO2 and Cuno Molecules in the Gas-Phase Hrusak J, Koch W, Schwarz H
3906 - 3915	Role of the HNO3(--)Noh Isomerization in Reactions (I) NH((3)Sigma(-))+o(P-3) and (II) N(S-4)+oh((2)Pi) - Ab-Initio Calculations and Quantum-Statistical Rice-Ramsperger-Kassel Analysis of the Potential-Energy Surfaces Sengupta D, Chandra AK
3916 - 3922	Ab-Initio Molecular-Orbital Study of Potential-Energy Surface for the Nh+no2 Reaction Mebel AM, Morokuma K, Lin MC
3923 - 3927	A Theoretical-Study of the Ch3+c2H2 Reaction Diau EW, Lin MC, Melius CF
3928 - 3935	Use of 2nd-Order Perturbation-Theory for the Vibrational-Energy Levels and Partition-Functions at a Saddle-Point Isaacson AD, Hung SC
3936 - 3944	The Discrete Bessel Transform Algorithm Lemoine D
3945 - 3951	Ab-Initio Studies of the Polarizabilities of Retinal Analogs Toto JL, Toto TT, Demelo CP, Robins KA
3952 - 3961	On Some Structural-Properties of Various Electronic States of the Hydroxonium Ion Digiacomo F, Gianturco FA, Raganelli F, Schneider F
3962 - 3972	Stable Multiply Negative Ionic Chains - How Many Excess Electrons Can a Finite Quasi-Linear Molecule Hold Scheller MK, Cederbaum LS
3973 - 3980	Ab-Initio Study of the Potential-Energy Surfaces of Doublet Valence and Rydberg States of FCO Krossner T, Zulicke L, Vetter R, Peric M, Peyerimhoff SD
3981 - 3988	Ab-Initio Investigation of the Vibrational Structure of Absorption and Emission-Spectra of FCO Krossner T, Peric M, Vetter R, Zulicke L
3989 - 4003	A Model for Electron-Nuclear Dynamics of a Monatomic Chain Calais JL, Deumens E, Ohrn Y
4004 - 4010	Accurate Global Fit of the H-4 Potential-Energy Surface Aguado A, Suarez C, Paniagua M
4011 - 4027	Ab-Initio Computation of Semiempirical Pi-Electron Methods .2. Transferability of H-Nu Parameters Between Ethylene, Trans-Butadiene, and Cyclobutadiene Martin CH, Freed KF
4028 - 4041	New Pseudospectral Algorithms for Electronic-Structure Calculations - Length Scale Separation and Analytical 2-Electron Integral Corrections Greeley BH, Russo TV, Mainz DT, Friesner RA, Langlois JM, Goddard WA, Donnelly RE, Ringnalda MN
4042 - 4048	Ab-Initio Study of the Energy Difference Between the Cyclic and Linear-Forms of the C-6 Molecule Pless V, Suter HU, Engels B
4049 - 4054	Quasi-Relativistic Ab-Initio Model Potential Calculations on the Group-IV Hydrides (Xh(2), Xh(4), X=si, Ge, Sn, Pb) and Oxides (Xo, X=ge, Sn, Pb) Barandiaran Z, Seijo L
4055 - 4061	Molecular-Dynamics Simulations of Proteins in Solution - Artifacts Caused by the Cutoff Approximation Saito M
4062 - 4072	Symplectic Integrators for Large-Scale Molecular-Dynamics Simulations - A Comparison of Several Explicit Methods Gray SK, Noid DW, Sumpter BG
4073 - 4082	Gas-Phase Solvation of No+, O-2(+), N2O+, N2Oh+, and H3O+ with N2O Hiraoka K, Fujimaki S, Aruga K, Sato T, Yamabe S
4083 - 4092	Frequency-Spectra for Fluids Beyond the Mean Spherical Approximation Hoye JS, Lomba E
4093 - 4097	Determination of Phase-Diagrams for the Hard-Core Attractive Yukawa System Hagen MH, Frenkel D
4098 - 4102	The Chemical-Potential in Atomically Inhomogeneous Fluids in External Force-Fields by Computer-Simulation Powles JG, Baker SE, Evans WA
4103 - 4116	Molecular-Dynamics Simulation of a Nematic Liquid-Crystal Komolkin AV, Laaksonen A, Maliniak A
4117 - 4122	Solvent Mean Force Perturbations of Diatomic Dissociation Reactions - Comparison of Perturbed Hard Fluid and Computer-Simulation Results Desouza LE, Benamotz D
4123 - 4132	Water Above Its Boiling-Point - Study of the Temperature and Density-Dependence of the Partial Pair Correlation-Functions .1. Neutron-Diffraction Experiment Postorino P, Ricci MA, Soper AK
4133 - 4142	Electronic-Properties of a Dilute Polarizable Fluid - A Greens-Function Approach Schvaneveldt SJ, Loring RF
4143 - 4149	A Nonlocal Density-Functional Theory of Electric Double-Layer - Charge-Asymmetric Electrolytes Patra CN, Ghosh SK
4150 - 4155	Microscopic Theory of Ion Solvation Dynamics in Liquid Methanol Roy S, Bagchi B
4156 - 4165	Structure and Thermodynamics of the Liquid-Vapor Interface of Fluorocarbons and Semifluorinated Alkane Diblocks - A Molecular-Dynamics Study Hariharan A, Harris JG
4166 - 4176	Computer-Simulation of Vapor-Liquid-Equilibria of Linear Quadrupolar Fluids - Departures from the Principle of Corresponding States Garzon B, Lago S, Vega C, Demiguel E, Rull LF
4177 - 4189	Constant-Pressure Molecular-Dynamics Algorithms Martyna GJ, Tobias DJ, Klein ML
4190 - 4197	The Stability and Structure of the Hyperlithiated Molecules Li3S and Li4S - An Experimental and Ab-Initio Study Kudo H, Yokoyama K, Wu CH
4198 - 4204	Off-Specular Reflection from Flat Interfaces Wu WL
4205 - 4213	Effects of Chain Topology on Polymer Dynamics - Bulk Melts Shaffer JS
4214 - 4221	Calculations of the Mueller Scattering Matrix for a DNA Plectonemic Helix Shapiro DB, Hull PG, Hunt AJ, Hearst JE
4222 - 4228	A Topological Approach to Statistics and Dynamics of Chain Molecules Nitta KH
4229 - 4235	2-Dimensional Model of Geometric Effects in Thin-Film Crystal Orientation Birnie DP, Weinberg MC
4236 - 4247	Thermal and Photoinduced Dissociation of (C2H5)(2)Zn to Yield C2H5 on the Pd(100) Surface Kovacs I, Iost N, Solymosi F
4248 - 4259	Dissociative Electron-Attachment to Condensed and Adsorbed Halomethanes Rowntree P, Sanche L, Parenteau L, Meinke M, Weik F, Illenberger E
4260 - 4267	Interaction Between Surfaces in Ethanol - Adsorption, Capillary Condensation, and Solvation Forces Wanless EJ, Christenson HK
4268 - 4276	Polymer-Chains with Excluded-Volume - Critical Exponents from Free-Energy Optimization Allegra G, Colombo E
4277 - 4287	Coadsorption of Hydrogen and Co on Pt(335) - Structure and Vibrational Stark-Effect Wang H, Tobin RG, Lambert DK
4288 - 4300	The Effect of Temperature on the Structure of Amorphous Hydrogenated Carbon Walters JK, Fox DM, Burke TM, Weedon OD, Newport RJ, Howells WS
4301 - 4306	An Unexpected Packing of Fluorinated N-Alkane Thiols on Au(111) - A Combined Atomic-Force Microscopy and X-Ray-Diffraction Study Liu GY, Fenter P, Chidsey CE, Ogletree DF, Eisenberger P, Salmeron M
4307 - 4311	The Zimm Model Applied to Extended Single Polymers Quake SR
4312 - 4323	Monte-Carlo Simulations of End-Grafted Polymer Matrices Under Poor Solvent Conditions Weinhold JD, Kumar SK
4324 - 4330	Accurate Measurements of the Chemical-Potential of Polymeric Systems by Monte-Carlo Simulation Wilding NB, Muller M
4331 - 4342	Smectic-A to Bilayer Evolution in Concentrated Surfactant Solutions - The Role of Spontaneous Curvature Granek R, Gelbart WM, Bohbot Y, Benshaul A
4343 - 4349	Optimal Treatment of Diffraction Coordinates in Wave-Packet Scattering from Surfaces Lemoine D
4350 - 4356	Quantum Flux Analysis of the Scattering of Oriented No Molecules from Surfaces Lemoine D
4357 - 4364	Theoretical-Studies of the Interaction Between Aluminum and Poly(P-Phenylenevinylene) and Derivatives Logdlund M, Bredas JL
4365 - 4372	Phase-Transitions in Mixed Langmuir Films of 8Cb and Stearic-Acid Enderle T, Meixner AJ, Zschokkegranacher I
4373 - 4378	No Electronic Desorption Processes from Step Sites on Pt(112) - A Comparison Between Photo-Stimulated and Electron-Stimulated Desorption Heiz U, Xu J, Gadzuk JW, Yates JT
4379 - 4390	Chain Desorption from a Semidilute Polymer Brush - A Monte-Carlo Simulation Wittmer J, Johner A, Joanny JF, Binder K
4391 - 4406	Kinetic-Theory for a Mobile Adsorbed Gas Koch DL
4407 - 4417	Coupling Between Diffusion and Deformation of Gels in Binary Solvents - A Model Study Yoshimura K, Sekimoto K
4418 - 4432	Computational Studies of Halogen Chemistry on Rare-Gas Surfaces .2. Structure of Chlorine and Bromine Submonolayer Films on Ar(111) and Xe(111) Prepared by Molecular-Beam Dosing Christoffel KM, Trayanov AL, Prisant MG
4433 - 4444	Computational Studies of Halogen Chemistry on Rare-Gas Surfaces .3. Photodissociation in Submonolayer Chlorine Films on Ar(111) and Xe(111) Trayanov AL, Prisant MG
4445 - 4451	He-Atom Scattering Study of Xe Coadsorbed with Alkali-Metal Atoms on Graphite White JD, Lakin JV, Strauss MA, Diehl RD
4452 - 4460	Dynamics of Star Polymers in a Good Solvent - A Kramers Potential Treatment Ohno K, Schulz M, Binder K, Frisch HL
4461 - 4462	Cr5+ Luminescence from Chromium-Doped SiO2 Glass Herren M, Nishiuchi H, Morita M
4463 - 4465	New Measurement Method for the Quasi-Elastic Light-Scattering with the Sinusoidal Electric-Field by Use of an Extended Wiener-Khinchin Theorem Ito K, Ooi S, Kimura Y, Hayakawa R
4466 - 4469	Hydrogen-Bonding in Supercritical Water Chialvo AA, Cummings PT
4470 - 4471	Ultraviolet-Visible Absorption-Spectrum of C-60 Vapor and Determination of the C-60 Vaporization Enthalpy Dai S, Toth LM, Delcul GD, Metcalf DH
4472 - 4473	Structures of the Water Hexamer Using Density-Functional Methods Lee CT, Chen H, Fitzgerald G
4474 - 4475	A Time-Dependent Formulation of the Born-Oppenheimer Approximation to Describe Vibronic Nonlinear-Optical Effects Das GP
4476 - 4476	State-to-State Rotational Energy-Transfer Measurements in Methane (Chd3) by Infrared Double-Resonance with a Tunable Diode-Laser (Vol 100, Pg 5510, 1994) Klaassen JJ, Coy SL, Steinfeld JI, Roche C
4477 - 4477	An Ab-Initio Study of Cuco (Vol 100, Pg 1215, 1994) Bauschlicher CW
4477 - 4477	Isothermal Glass Transitions in Supercooled and Overcompressed Liquids (Vol 100, Pg 2250, 1994) Albasimionesco C