Journal of Chemical Physics

Journal of Chemical Physics, Vol.101, No.9 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (117 articles)

7199 - 7210	Rovibrational Structure of No2+ and State-to-State Dynamics in the High-Resolution Threshold Photoionization of NO2 Bryant GP, Jiang YN, Martin M, Grant ER
7211 - 7220	Model-Calculations for the Analysis of Scattering Data from Layered Structures Loose W, Ackerson BJ
7221 - 7229	Hyperfine Measurements in the X and B Electronic States of (ICl)-Cl-35,37 - Probing the Ionic Character of the Chemical-Bond Slotterback TJ, Clement SG, Janda KC, Western CM
7230 - 7240	The Microwave-Spectrum of CH4-H2O Suenram RD, Fraser GT, Lovas FJ, Kawashima Y
7241 - 7247	Effect of Light-Intensity on the Fluorescence Quenching Kinetics Probed by Frequency-Domain Fluorometry Sung JY, Shin KJ, Lee SY
7248 - 7254	Relaxation of an Ax(2) Nuclear-Spin System - Amplitude-Modulated Pulses for Excitation of Longitudinal Multispin Ordered States Zieger G, Sterk H, Bermel W
7255 - 7261	An Analysis of the A-(2)Pi-X (2)Sigma(+) Band System of Isotopically Substituted Calcium Isocyanide Canc Scurlock CT, Fletcher DA, Steimle TC
7262 - 7272	Adsorption, Desorption, and Interparticle Motion of Hydrogen on Silica-Supported Ruthenium - A Study by in-Situ Nuclear-Magnetic-Resonance Engelke F, Vincent R, King TS, Pruski M
7273 - 7282	Monitoring of Slow Conformational Exchange by Doubly Selective Irradiation in Nuclear-Magnetic-Resonance Spectroscopy Boulat B, Rance M
7283 - 7289	Far-Infrared Properties of C-60 and C-70 Compacts Fitzgerald SA, Sievers AJ
7290 - 7299	Interatomic Potentials of Triplet S-Rydberg Series of Hgne and Hgar Van-der-Waals Dimers Onda K, Yamanouchi K, Okunishi M, Tsuchiya S
7300 - 7310	Sub-Doppler Spectroscopy of Thioformaldehyde - Excited-State Perturbations and Evidence for Rotation-Induced Vibrational Mixing in the Ground-State Clouthier DJ, Huang G, Adam AG, Merer AJ
7311 - 7319	Atomic-Site-Specific Nonoptical Excitation Spectroscopy of Chlorofluoromethanes CF4-Ncln (N=0-4) - Absolute Generalized Oscillator Strength Measurement of Below-Edge Electronic Excitations of C-1S and Cl-2P Shells Ying JF, Leung KT
7320 - 7326	B-Kvv and Cl-LVV Normal and Resonance Auger-Electron Spectra in Gaseous BCl3 Molecules Ueda K, Chiba H, Sato Y, Hayaishi T, Shigemasa E, Yagishita A
7327 - 7336	Time and Internal Energy-Dependent Fluorescence-Spectra of Naphthol-Center-Dot-Water Clusters Knochenmuss RD, Smith DE
7337 - 7341	Laser-Induced Infrared Fluorescence of O-3 Trapped in Xenon Matrices Jasmin D, Brosset P, Dahoo R, Raducu V, Gauthierroy B, Abouafmarguin L
7342 - 7349	Pulsed-Discharge-Nozzle Fourier-Transform Microwave Spectroscopy of Hc3S((2)Pi(R)) and Hc4S((2)Pi(I)) Hirahara Y, Ohshima Y, Endo Y
7350 - 7356	Line Coupling in Anisotropic Raman Branches Bonamy L, Bonamy J, Robert D, Temkin SI, Millot G, Lavorel B
7357 - 7363	Grid Method for the Wigner Functions - Application to the Van-der-Waals System Ar-H2O Leforestier C
7364 - 7371	Fluorescence and Hole-Burning Depletion Spectra of 1-(9-Anthryl)-3-Phenylpropane and 1-(1-Anthryl)-3-Phenylpropane in Supersonic Free Jet Takasu R, Kizu N, Itoh M, Shinoda H
7372 - 7380	Relaxation of Anisotropically Oriented I=3/2 Nuclei in the Multipole Basis - Evolution of the 2nd Rank Tensor in the Double-Quantum Filtered Nuclear-Magnetic-Resonance Experiment Dinesen TR, Sanctuary BC
7381 - 7387	Femtosecond Dynamics of I-2(B (3)-Pi(0U)+) in Liquids from Resonance Raman-Spectra Xu J, Schwentner N, Chergui M
7388 - 7398	Semiclassical Green-Function Calculation of 4-Wave-Mixing in Polarizable Clusters and Liquids Leegwater JA, Mukamel S
7399 - 7407	Laboratory Investigations of Gaseous Sulfuric-Acid Formation via So3+h2O+m-)H2So4+m - Measurement of the Rate-Constant and Product Identification Reiner T, Arnold F
7408 - 7414	A New Direct Ab-Initio Dynamics Method for Calculating Thermal Rate Constants from Density-Functional Theory Truong TN, Duncan W
7415 - 7422	Laser Double-Resonance Study of the Collisional Removal of O-2 (A-(3)Sigma(U)(+), Nu=6, 7, and 9) with O-2, N-2, CO2, Ar, and He Knutsen K, Dyer MJ, Copeland RA
7423 - 7439	Crossed-Beam Rovibrational Energy-Transfer from S-1 Glyoxal .3. Quantitative H-2 and He Cross-Sections for (0(0), K’=0) and (7(2), K’=0) and Comparison with Theory Gilbert BD, Parmenter CS, Krajnovich DJ
7440 - 7450	Crossed-Beam Rovibrational Energy-Transfer from S-1 Glyoxal .4. Reduced Mass Effects and an Overview of the Inelastic-Scattering Characteristics from 4 Initial Levels Gilbert BD, Parmenter CS, Krajnovich DJ
7451 - 7457	Electronic-State Distribution of Xe-+asterisk Formed by Excitation Transfer from Ne(P-3(0,2)0) to Xe+(P-2(3/2)0) at Thermal-Energy Tsuji M, Kaneko N, Nishimura Y
7458 - 7467	New Trends in the State-to-State Photodissociation Dynamics of H2O(A) Brouard M, Langford SR, Manolopoulos DE
7468 - 7479	On the Generation of Preferential Lambda-Doublet Populations in the Collisional Relaxation of Highly Rotationally Excited CH(X(2)Pi) Alexander MH, Dagdigian PJ
7480 - 7487	Saturation Predissociation Spectroscopy - Vibrational Transition Moments of HF Dimer Laush C, Lisy JM
7488 - 7499	Emission-Spectroscopy of Dissociating H2S - Influence of Nonadiabatic Coupling Heumann B, Schinke R
7500 - 7519	Quantum Rates for a Double-Well Coupled to a Dissipative Bath - Accurate Path-Integral Results and Comparison with Approximate Theories Topaler M, Makri N
7520 - 7527	Semiclassical Surface-Hopping Approximations for the Calculation of Solvent-Induced Vibrational-Relaxation Rate Constants Arce JC, Herman MF
7528 - 7530	Is Adiabatic Passage Population Transfer a Solution to an Optimal-Control Problem Band YB, Magnes O
7531 - 7537	Mercury 6P-1(1), Relaxation, Singlet to Triplet Transfer Under Collisions with Molecular-Hydrogen Bras N, Jeannet JC
7538 - 7547	Near-Ultraviolet Photolysis of Methanethiol Studied by H-Atom Photofragment Translational Spectroscopy Wilson SH, Ashfold MN, Dixon RN
7548 - 7553	Fragmentation of Methyl-Chloride Photoexcited Near Cl-(2P) by Mass-Spectrometry Thissen R, Simon M, Hubinfranskin MJ
7554 - 7565	Theoretical-Study of Ca(4S5P P-1)-)Ca(4S5P P-3) Energy-Transfer in Collisions with He - Initial and Final-State Alignment Duhoo T, Pouilly B
7566 - 7579	Barrier Crossing and Solvation Dynamics in Polar-Solvents - Photoisomerization of Trans-Stilbene and E,E-Diphenylbutadiene in Compressed Alkanols Mohrschladt R, Schroeder J, Schwarzer D, Troe J, Vohringer P
7580 - 7591	Optical-Potential Coupled to Discrete Variable Representation for Calculations of Quasi-Bound States - Application to the Co(B(1)Sigma(+)-D’(1)-Sigma(+)) Predissociating Interaction Monnerville M, Robbe JM
7592 - 7602	On the Energy-Dependence of the Steric Effect in Atom-Molecule Reactive Scattering .1. A Quasi-Classical Approach Groenenboom GC, Meijer AJ
7603 - 7617	On the Energy-Dependence of the Steric Effect for Atom-Molecule Reactive Scattering .2. The Reaction Ca(D-1)+ch3F(Jkm=111)-)Caf((2)Pi)+ch3 Meijer AJ, Groenenboom GC, Vanderavoird A
7618 - 7624	3-Body Analytical Potential for Interacting Helium-Atoms Parish CA, Dykstra CE
7625 - 7632	The Structure and Stability of Bh5 - Does Correlation Make It a Stable-Molecule - Qualitative Changes at High-Levels of Theory Schreiner PR, Schaefer HF, Schleyer PV
7633 - 7642	Hydrated Proton Clusters and Solvent Effects on the Proton-Transfer Barrier - A Density-Functional Study Wei DQ, Salahub DR
7643 - 7650	A Self-Adaptive Multilevel Finite-Element Method for the Stationary Schrodinger-Equation in 3-Space Dimensions Ackermann J, Erdmann B, Roitzsch R
7651 - 7657	A Spectroscopically Determined Potential-Energy Surface for the Ground-State of (H2O)-O-16 - A New Level of Accuracy Polyansky OL, Jensen P, Tennyson J
7658 - 7671	Symmetry-Adapted Cluster-Configuration Interaction Study on the Excited and Ionized States of Tibr4 and Tii4 Nakatsuji H, Ehara M
7672 - 7682	Low-Temperature Proton Transport in Clathrates Cappadonia M, Kornyshev AA, Krause S, Kuznetsov AM, Stimming U
7683 - 7685	Pressure-Dependence of Magnetic Coupling in Ionic Solids from Ab-Initio Cluster Model-Calculations Casanovas J, Illas F
7686 - 7691	A Multireference Configuration-Interaction Study of the Hyperfine-Structure of the Molecules Cco, Cnn, and Ncn in Their Triplet Ground-States Suter HU, Huang MB, Engels B
7692 - 7706	Calculation of Rovibronic Structures in the Lowest 9 Excited (1)Sigma(G)(+)+(1)Pi(G)+(1)Delta(G)-States of H-2, D-2, and T-2 Yu S, Dressler K
7707 - 7711	Determination of the Heats of Formation of Cccn and Hcccn Francisco JS, Richardson SL
7712 - 7728	Application of the Elongation Method to the Calculation of Electronic-Structures of the Interface and the Local Defect States in a Polymer - An Analysis of the Periodicity in the Electronic States of a Nonperiodic Polymer by Using the Cluster-Series Calculation Mitani M, Imamura A
7729 - 7737	Density-Functional Calculations on First-Row Transition-Metals Russo TV, Martin RL, Hay PJ
7738 - 7762	Coupled-Cluster Theory That Takes Care of the Correlation Cusp by Inclusion of Linear Terms in the Interelectronic Coordinates Noga J, Kutzelnigg W
7763 - 7778	Semiclassical Quantization of a Nonintegrable System - Pushing the Fourier Method into the Chaotic Regime Sohlberg K, Shirts RB
7779 - 7781	Shell Boundaries in Rare-Earth Atoms and Tripositive Ions Using Average Local Electrostatic Potential Krishnaveni R, Sen KD
7782 - 7787	Ab-Initio Calculation of Vibration Frequencies, Infrared Intensities, and Structures for H-4(+), Lih3+, Li2H2+, and Li-4(+), and Deuterated Analogs Pan ZF, Borkman RF
7788 - 7794	Property Evaluation Using the Hartree-Fock-Density-Functional-Theory Method - An Efficient Formalism for First-Order and 2nd-Order Properties Sekino H, Oliphant N, Bartlett RJ
7795 - 7803	Experimental-Determination of Delta-H-F(0)(Hobr) and Ionization-Potentials (Hobr) - Implications for Corresponding Properties of Hoi Ruscic B, Berkowitz J
7804 - 7810	New Method for Determining the Chemical-Potential for Condensed Matter at High-Density Powles JG, Holtz B, Evans WA
7811 - 7822	A Theory for the Activated Barrier Crossing Rate-Constant in Systems Influenced by Space and Time-Dependent Friction Haynes GR, Voth GA, Pollak E
7823 - 7827	Molecular-Dynamics Simulation of Molten Silica at High-Pressure Vessal B, Amini M, Akbarzadeh H
7828 - 7834	Large Permittivity of Computer-Simulated Liquid Cyanogen Kita Y, Kiyohara K, Oobatake M, Hayashi S, Machida K
7835 - 7843	Homogeneous Nucleation Rates for N-Butanol Viisanen Y, Strey R
7844 - 7849	Brownian Dynamics in Amorphous Solids Tsekov R, Ruckenstein E
7850 - 7855	Linear Viscoelasticity of Dense Colloidal Suspensions Cichocki B, Felderhof BU
7856 - 7867	Global Orientational Order in Model Polar Clusters Lavender HB, Iyer KA, Singer SJ
7868 - 7872	The Intermolecular Hydrogen-Hydrogen Structure of Chain-Molecule Liquids from Neutron-Diffraction Londono JD, Annis BK, Turner JZ, Soper AK
7873 - 7881	Computer-Simulations of Cesium Water Clusters - Do Ion Water Clusters Form Gas-Phase Clathrates Smith DE, Dang LX
7882 - 7892	X-Ray-Scattering and Disordered Structure of N-Tetracosane in Urea Adducts .1. A Model for the X-Ray-Scattering Pattern Fukao K
7893 - 7903	X-Ray-Scattering and Disordered Structure of N-Tetracosane in Urea Adducts .2. Averaged Disorder, Spatial Correlation, and Phase-Transition Fukao K
7904 - 7911	Evaporation and Condensation at a Liquid Surface .1. Argon Yasuoka K, Matsumoto M, Kataoka Y
7912 - 7917	Evaporation and Condensation at a Liquid Surface .2. Methanol Matsumoto M, Yasuoka K, Kataoka Y
7918 - 7924	A Contact Cavity-Biased Method for Grand-Canonical Monte-Carlo Simulations Yau DH, Liem SY, Chan KY
7925 - 7933	Water Near a Planar Interface - Atom-Based Integral-Equation Theory Booth MJ, Duh DM, Haymet AD
7934 - 7938	Multibody Distribution Function Contributions to the Heat-Capacity for the Truncated Lennard-Jones Fluid Freasier BC, Czezowski A, Bearman RJ
7939 - 7952	Primitive Models of Chemical Association .1. Theory and Simulation for Dimerization Kalyuzhnyi YV, Stell G, Llanorestrepo ML, Chapman WG, Holovko MF
7953 - 7962	Molecular-Dynamics Free-Energy Simulations - Influence of the Truncation of Long-Range Nonbonded Electrostatic Interactions on Free-Energy Calculations of Polar-Molecules Chipot C, Millot C, Maigret B, Kollman PA
7963 - 7970	A Self-Consistent Approach to a Density-Functional for Homogeneous Fluids Rickayzen G, Kalpaxis P, Chacon E
7971 - 7974	Organic Hydrogen-Bonded Dielectrics - Quantum Paraelectricity Based on Tautomerization of 9-Hydroxyphenalenone Derivatives Mochida T, Izuoka A, Sugawara T, Moritomo Y, Tokura Y
7975 - 7989	The H-NCS Bond-Energy, Delta-H-Degrees(F)(Hncs), Delta-H-Degrees(F)(NCS), and Ip(NCS) from Photoionization Mass-Spectrometric Studies of Hncs, NCS, and (NCS)(2) Ruscic B, Berkowitz J
7990 - 7996	A Proposal for the Thermodynamic and Kinetic Modeling of Chemical-Reactions in Cluster Formation - Illustrated by Soot Formation in Low-Pressure Flames Vogelsberger W
7997 - 8003	An Equation of State for Fused Hard-Sphere Polyatomic-Molecules Phan S, Kierlik E, Rosinberg ML
8004 - 8015	Semiclassical Calculation and Analysis of Dynamical-Systems with Mixed-Phase Space Sepulveda MA, Heller EJ
8016 - 8027	Semiclassical Analysis of Hierarchical Spectra Sepulveda MA, Heller EJ
8028 - 8038	Conformational Dynamics and Relaxation in Bulk Polybutadienes - A Molecular-Dynamics Simulation Study Gee RH, Boyd RH
8039 - 8047	Excess Electron-States on the Microsurfaces of Ne and H-2 Clusters Rosenblit M, Jortner J
8048 - 8054	Theoretical Investigation of the Nonlinear-Optical Properties of Oligomers of Polythienylenemethylidene, a Low-Band-Gap Material Adant C, Beljonne D, Bredas JL
8055 - 8072	Measuring the Structure of Etched Silicon Surfaces with Raman-Spectroscopy Hines MA, Chabal YJ, Harris TD, Harris AL
8073 - 8081	Theoretical-Study of the Mechanism of Recombinative Hydrogen Desorption from the Monohydride Phase of Si(100) - The Role of Defect Migration Nachtigall P, Jordan KD, Sosa C
8082 - 8086	Formation of Striped Surface Phases by Short-Range Forces Meyer JA, Stranick SJ, Weiss PS
8087 - 8093	Stabilized Hydrogen on Cs-Modified Al(111) - Evidence for Formation of Alkali Aluminum Dihydride Surface Complex Kondoh H, Nozoye H
8094 - 8097	Self-Consistent Monte-Carlo Simulation of the Electron and Ion Distributions in the Liquid-Vapor Interface of Magnesium Gomez MA, Rice SA
8098 - 8107	Interaction of Platinum Films with the (000(1)over-Bar) and (0001) Surfaces of ZnO Petrie WT, Vohs JM
8108 - 8118	Chemical-Reactions of Silicon Clusters Ramakrishna MV, Pan J
8119 - 8129	Models and Equilibrium Properties of Stiff Molecular Chains Winkler RG, Reineker P, Harnau L
8130 - 8137	Method for the Calculation of the Vibrational Frequency-Shift of Physisorbed Molecules - Application to H-2 Adsorbed in NAA Zeolite Larin AV, Delara EC
8138 - 8151	Corrected Electrostatic Model for Dipoles Adsorbed on a Metal-Surface Maschhoff BL, Cowin JP
8152 - 8158	Highly Excited Hydrogen Molecules Desorbed from a Surface - Experimental Results Schermann C, Pichou F, Landau M, Cadez I, Hall RI
8159 - 8168	Microscopic Treatment of Substrate Effects on Linear Optical-Properties of Model Langmuir-Blodgett-Films Munn RW
8169 - 8192	Structure and Relaxation of End-Linked Polymer Networks Duering ER, Kremer K, Grest GS
8193 - 8199	2nd-Harmonic Generation from Chiral Surfaces Kauranen M, Verbiest T, Maki JJ, Persoons A
8200 - 8204	General Equations for Describing Temperature-Programmed Surface Segregation Zhdanov VP, Norton PR
8205 - 8213	Quantum Effects in the Surface Penetration of Energetic Hydrogen-Atoms Yang K, Rabitz H
8214 - 8223	Chain Stiffness and Bond Correlations in Polymer Brushes Wijmans CM, Leermakers FA, Fleer GJ
8224 - 8237	Electron-Tunneling Through a Dielectric Barrier Rostkieredelstein D, Urbakh M, Nitzan A
8238 - 8245	Nitridation of a Si(100) Surface by 100-1000-eV N-2(+) Ion-Beams Kusunoki I, Takaoka T, Igari Y, Ohtsuka K
8246 - 8257	Folding Thermodynamics and Kinetics of Imprinted Renaturable Heteropolymers Pande VS, Grosberg AY, Tanaka T
8258 - 8261	Domain Morphology in a 2-Dimensional Anisotropic Mesophase - Cusps and Boojum Textures in a Langmuir Monolayer Schwartz DK, Tsao MW, Knobler CM
8262 - 8263	Laser-Induced Fluorescence Detection of Clo Radicals at 167-180-nm Matsumi Y, Shamsuddin SM, Kawasaki M
8264 - 8265	The Co (A-X) Electric-Dipole Transition-Moment at Large Internuclear Distances Wallaart HL, Perrin MY, Martin JP
8266 - 8266	Theory of Activated Rate-Processes in the Weak and Intermediate Friction Cases - New Analytical Results for One and Many Degrees of Freedom (Vol 100, Pg 7331, 1994) Shushin AI
8267 - 8267	2nd Hyperpolarizability of Huckel Rings - Analytical Results for Size and Alternation Dependencies (Vol 99, Pg 9265, 1993) Spano FC, Soos ZG