Journal of Chemical Physics

Journal of Chemical Physics, Vol.105, No.20 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (43 articles)

8995 - 9006	Sum-over-States Density-Functional Perturbation-Theory - Prediction of Reliable C-13, N-15, and O-17 Nuclear-Magnetic-Resonance Chemical-Shifts Olsson L, Cremer D
9007 - 9020	On the Theoretical Investigation of Vibronic Spectra of Ethylene by Ab-Initio Calculations of the Franck-Condon Factors Mebel AM, Chen YT, Lin SH
9021 - 9026	Exciplex Vacuum-Ultraviolet Emission-Spectra of Krar - Temperature-Dependence and Potentials Subtil JL, Jonin C, Laporte P, Reininger R, Spiegelmann F, Gurtler P
9027 - 9034	Coriolis-Dependent Stark-Effect of the 2-Nu(3) Band of Methane Observed by Saturated Absorption-Spectroscopy Sasada H, Suzumura K, Ishibashi C
9035 - 9039	High-Resolution Photoelectron-Spectroscopy of Sulfur 2P Electrons in H2S, SO2, Cs2, and OCS Siggel MR, Field C, Saethre LJ, Borve KJ, Thomas TD
9040 - 9045	Transformations of Styrene at High-Pressure Gourdain D, Chervin JC, Pruzan P
9046 - 9050	Recovery of Broad and Weak Electron-Spin Echo Envelope Modulation (ESEEM) Lines in Disordered-Systems with Mixing-Frequency ESEEM Method Song R
9051 - 9067	Ab-Initio Study of NO2 .5. Nonadiabatic Vibronic States and Levels of the (X)over-Tilda (2)A(1)/(A)over-Tilda B-2(2) Conical Intersection Leonardi E, Petrongolo C, Hirsch G, Buenker RJ
9068 - 9071	Bond-Energy Oscillation in the Cluster Ion No+(No)(N) Hiraoka K, Nasu M, Oomori D, Minamitsu A
9072 - 9082	One-Atom Cage Effect in Collinear I-2(B)-Ar Complexes - A Time-Dependent Wave-Packet Study Fang JY, Martens CC
9083 - 9092	Numerical-Simulation of the Isomerization of HCN by 2 Perpendicular Intense Ir Laser-Pulses Dion CM, Chelkowski S, Bandrauk AD, Umeda H, Fujimura Y
9093 - 9103	Variational Transition-State Theory for Electron-Transfer Reactions in Solution Benjamin I, Pollak E
9104 - 9114	Avoiding Long Propagation Times in Wave-Packet Calculations on Scattering with Resonances - A Hybrid Approach Involving the Lanczos Method Kroes GJ, Neuhauser D
9115 - 9120	2-Pulse Laser Control of Bond-Selective Fragmentation Amstrup B, Henriksen NE
9121 - 9129	Rotational Population-Distribution of Kh (V=0, 1, 2, and 3) in the Reaction of K(5(2)P(J), 6(2)P(J) and 7(2)P(J)) with H-2 - Reaction-Mechanism and Product Energy Disposal Liu DK, Lin KC
9130 - 9140	The Intermolecular Potential-Energy Surface for CO2-Ar - Fitting to High-Resolution Spectroscopy of Van-der-Waals Complexes and 2nd Virial-Coefficients Hutson JM, Ernesti A, Law MM, Roche CF, Wheatley RJ
9141 - 9152	A Study of Conical Intersection Effects on Scattering Processes - The Validity of Adiabatic Single-Surface Approximations Within a Quasi-Jahn-Teller Model Baer R, Charutz DM, Kosloff R, Baer M
9153 - 9161	193.3 nm Photodissociation of Acetylene - Nascent State Distribution of Cch Radical Studied by Laser-Induced Fluorescence Hsu YC, Chen FT, Chou LC, Shiu YJ
9162 - 9166	Coherent Control of Bimolecular Collisions - Collinear Reactive Scattering Holmes D, Shapiro M, Brumer P
9167 - 9174	Dissociation Dynamics of Na-N(+) in Collision with Rare-Gas Atoms Nonose S, Tanaka H, Mizuno T, Kim NJ, Someda K, Kondow T
9175 - 9181	Adiabatic and Nonadiabatic Effects of Nuclear-Dynamics in Spectra of Decaying States - Auger Spectrum of HF Pahl E, Meyer HD, Cederbaum LS, Minelli D, Tarantelli F
9182 - 9190	Accuracy of Approximate Kinetic-Energy Functionals in the Model of Kohn-SHAM Equations with Constrained Electron-Density - The Fh-Center-Dot-Center-Dot-Center-Dot-Nch Complex as a Test-Case Wesolowski TA, Chermette H, Weber J
9191 - 9199	Generalization of the Multiconfigurational Time-Dependent Hartree Method to Nonadiabatic Systems Museth K, Billing GD
9200 - 9213	Exchange-Correlation Potentials Tozer DJ, Ingamells VE, Handy NC
9214 - 9226	Electronic-Structure of Pyridine-Based Polymers Blatchford JW, Gustafson TL, Epstein AJ
9227 - 9239	A Complete Active Space Valence-Bond (Casvb) Method Hirao K, Nakano H, Nakayama K, Dupuis M
9240 - 9247	Multireference Self-Consistent Size-Extensive State-Selective Configuration-Interaction Adamowicz L, Malrieu JP
9248 - 9257	Temperature and Density Effects on the High-Temperature Ionic Speciation in Dilute Na+/Cl- Aqueous-Solutions Chialvo AA, Cummings PT, Simonson JM, Mesmer RE
9258 - 9265	Computer-Simulations of Dense Hard-Sphere Systems Rintoul MD, Torquato S
9266 - 9280	Mobility and Solvation of Ions in Channels Lyndenbell RM, Rasaiah JC
9281 - 9287	Instantaneous Normal-Mode Analysis of Liquid Na Wu TM, Tsay SF
9288 - 9291	Thermodynamic Properties of an Asymmetric Fluid Mixture with Yukawa Interaction in the Mean Spherical Approximation Herrera JN, Blum L, Garciallanos E
9292 - 9298	Entropy-Enthalpy Compensation - Perturbation and Relaxation in Thermodynamic Systems Qian H, Hopfield JJ
9299 - 9315	Calculation of Classical Trajectories with a Very Large Time-Step - Formalism and Numerical Examples Olender R, Elber R
9316 - 9323	Polarizable Dipolar 2-Center Lennard-Jones Fluids - Computer-Simulations and Equation of State Kriebel C, Winkelmann J
9324 - 9333	Fractal Brownian-Motion and Polymers in External Fields Washington GE
9334 - 9338	Anomalous Height Increases upon Bending for an Alexander-de-Gennes Polymer Brush Sevick EM, Williams DR
9339 - 9348	Comparing Ab-Initio Computed Energetics with Thermal Experiments in Surface Science - Co/MgO(001) Nygren MA, Pettersson LG
9349 - 9361	Steady-State and Time-Resolved Fluorescence Study of Some Dyes in Polymer Microspheres Showing Morphology Dependent Resonances Bisht PB, Fukuda K, Hirayama S
9362 - 9370	Copolymer Brushes Ferreira PG, Leibler L
9371 - 9374	Vibrational-Energy Relaxation of Adsorbate Vibrations - A Theoretical-Study of the H/Si(111) System Ermoshin VA, Kazansky AK, Smimov KS, Bougeard D
9375 - 9378	A Simple Physical Picture of Liquid-Glass Transition Tanaka H
9379 - 9380	On the Nu(4) Bending Frequency of Gaseous ThF4 Konings RJ