Journal of Chemical Physics

Journal of Chemical Physics, Vol.101, No.6 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (103 articles)

4485 - 4495	Resonant 2-Photon Ionization Spectroscopy of the Molecules V-2, Vnb, and Nb-2 James AM, Kowalczyk P, Langlois E, Campbell MD, Ogawa A, Simard B
4496 - 4504	Analysis of the Absorption-Spectrum (1-B-1(U)(-1 (1)A(G)) and Resonance Raman Excitation Profiles of Trans-1,3,5-Hexatriene Based on Ab-Initio Molecular-Orbital Calculations Torii H, Tasumi M
4505 - 4513	Feature State Assignment and Hierarchical and Statistical-Analyses of Vibronic and Rovibronic Level Structure of NO2 in the 16300-25130-cm(-1) Region Miyawaki J, Yamanouchi K, Tsuchiya S
4514 - 4520	Time-Resolved Electron-Paramagnetic-Resonance Spectra of Photoexcited Triplet-States of Electron-Donor-Acceptor Complexes in Frozen Solution - Methylated Benzenes and Chlorinated Phthalic Anhydrides Murai H, Minami M, Ihaya YJ
4521 - 4525	Double-Resonance Spectra of J-Coupled I=1/2 and S=3 Nuclear Spins Capuani S, Deluca F, Maraviglia B
4526 - 4535	Laser Ionization Mass-Spectrometry of Homogeneous and Binary Molecular Clusters of Nitric-Oxide Desai SR, Feigerle CS, Miller JC
4536 - 4546	Ultrafast Infrared Pump-Probe Spectroscopy of Water - A Theoretical Description Bratos S, Leicknam JC
4547 - 4560	Potential-Energy Surfaces for the Interaction of CH(X (2)Pi,B (2)Sigma(-)) with Ar and an Assignment of the Stretch-Bend Levels of the Arch(B) Van-der-Waals Molecule Alexander MH, Gregurick S, Dagdigian PJ, Lemire GW, Mcquaid MJ, Sausa RC
4561 - 4571	Rotational Analysis of the 7P-Sigma (3)Sigma(G)(+)(-A(3)Sigma(U)(+) System of the Ar-2 Molecule Herring CM, Kim SB, Eden JG, Ginter ML
4572 - 4577	Velocity Modulated Fourier-Transform Emission as a Plasma Diagnostic and a Spectroscopic Tool Hong XC, Miller TA
4578 - 4584	The Effect of Harmonic Conformational Trajectories on Protein Fluorescence and Lifetime Distributions Alcala JR
4585 - 4592	High-Resolution C-13 Nuclear-Magnetic-Resonance in Alkali-Intercalated Fullerene C-60 Reichenbach J, Rachdi F, Lukyanchuk I, Ribet M, Zimmer G, Mehring M
4593 - 4598	Rovibrationally Resolved, Fourier-Transform Near-Infrared Spectroscopy of the Nu(1) and Nu(2) Vibrations of the HCl Dimer in a Supersonic Jet Meads RF, Mcintosh AL, Arno JI, Hartz CL, Lucchese RR, Bevan JW
4599 - 4609	Pulsed Gradient Spin-Echo Nuclear-Magnetic-Resonance for Molecules Diffusing Between Partially Reflecting Rectangular Barriers Coy A, Callaghan PT
4610 - 4616	Comparison of Infrared-Absorption Intensities of Benzene in the Liquid and Gas Phases Bertie JE, Keefe CD
4617 - 4620	Line-Shapes and Forced Autoionization of the 8S and 9S, V=1 Rydberg States of No Nussenzweig A, Eyler EE
4621 - 4627	A Site-Selective Luminescence Excitation and Raman-Scattering Study of Eu(Cf3So3)(3)-PPO - Ion Association and Ionic Exchange-Rate Brodin A, Mattsson B, Torell IM
4628 - 4634	The Effect of Methane on Photocurrents Generated by Exciting Xenon Below Its First Ionization-Potential Steinberger IT, Krasinsky A, Shechter R, Gurtler P, Meyer J
4635 - 4643	Investigation of the Rotational Spectrum of the Hydrogen-Bonded Dimer Formed Between Methylenecyclopropane and HCl Kisiel Z, Fowler PW, Legon AC
4644 - 4648	Herzberg-Teller Coupling and Configuration-Interaction in a Metalloporphyrin Model - 1,3,5,7-Tetramethylcyclo-Octatetraene Dianion Sztainbuch IW, Soos ZG, Spiro TG
4649 - 4656	Modeling of the Optical-Properties of Multicomponent Films on Small Isotropic Spheres Xu ML, Mamicheafara S, Dignam MJ
4657 - 4667	Proton-Transfer in Solution - Molecular-Dynamics with Quantum Transitions Hammesschiffer S, Tully JC
4668 - 4681	Intramolecular Energy-Flow and Bond-Dissociation in Iodoacetylene and Iododiacetylene Kim YH, Ree J, Lee CS, Shin HK
4682 - 4687	Preparation and Decay of Alignment in N-2 (V=1) Sitz GO, Farrow RL
4688 - 4696	Impact of Global Interaction and Symmetry on Pattern Selection and Bifurcation Middya U, Luss D, Sheintuch M
4697 - 4707	Symmetry-Adapted Perturbation-Theory Potential for the Hek+ Molecular Ion and Transport-Coefficients of Potassium-Ions in Helium Moszynski R, Jeziorski B, Diercksen GH, Viehland LA
4708 - 4721	Experimental and Theoretical-Study of the O+hcl Transition-State Region by Photodetachment of Ohcl- Davis MJ, Koizumi H, Schatz GC, Bradforth SE, Neumark DM
4722 - 4734	Flux Redistribution During the Photodissociation of Clno in the T-1 State Vegiri A, Alexander MH
4735 - 4749	A Quantitative Technique for Revealing the Usefulness of Experimental-Data in Refining a Potential Surface Lazarides AA, Rabitz H, Mccourt FR
4750 - 4758	How Accurate Is the Rice-Ramsperger-Kassel-Marcus Theory - The Case of H-3(+) Berblinger M, Schlier C
4759 - 4768	Quantum-Mechanical Calculations of the Rate-Constant for the H-2+oh-)H+h2O Reaction - Full-Dimensional Results and Comparison to Reduced Dimensionality Models Manthe U, Seideman T, Miller WH
4769 - 4777	Kinetic-Studies of Ionic Excimers Schumann M, Langhoff H
4778 - 4789	Variational Transition-State Theory for Multidimensional Activated Rate-Processes in the Presence of Anisotropic Friction Berezhkovskii AM, Frishman AM, Pollak E
4790 - 4802	Simplification of the Transition-State Concept in Reactive Island Theory - Application to the HCN-Reversible-Arrow-Cnh Isomerization Deleon N, Ling S
4803 - 4808	Nascent Internal State Distributions of Znh(X (2)Sigma(+)) Produced in the Reactions of Zn(4 P-1(1)) with Some Alkane Hydrocarbons Umemoto H, Tsunashima S, Ikeda H, Takano K, Kuwahara K, Sato K, Yokoyama K, Misaizu F, Fuke K
4809 - 4818	The Density of Reactive Levels in NO2 Unimolecular Decomposition Ionov SI, Davis HF, Mikhaylichenko K, Valachovic L, Beaudet RA, Wittig C
4819 - 4825	An Ab-Initio Molecular-Orbital Study on Adsorption at the MgO Surface .2. Site Dependence of Hydrogen Chemisorption on the (MgO)(4,6,8) Clusters Sawabe K, Koga N, Morokuma K, Iwasawa Y
4826 - 4831	Valence-Bond Calculations of the Potential-Energy Surface for CH4-)Ch3+h Wu W, Mcweeny R
4832 - 4841	Excited Potential-Energy Surfaces of Ch3Sh from the Ab-Initio Effective Valence Shell Hamiltonian Method Stevens JE, Freed KF, Arendt MF, Graham RL
4842 - 4854	Chemical-Binding and Electron Correlation-Effects in X-Ray and High-Energy Electron-Scattering Wang JH, Tripathi AN, Smith VH
4855 - 4866	2-State Linear Curve Crossing Problems Revisited .4. The Best Analytical Formulas for Scattering Matrices Zhu CY, Nakamura H
4867 - 4877	New Anionic States of the Lithium Trimer Gutowski M, Simons J
4878 - 4884	The Protonated Water Dimer - Extensive Theoretical-Studies of H5O2+ Xie YM, Remington RB, Schaefer HF
4885 - 4892	The Thionitroxyl Free-Radical (H2Ns) and Its Ionic Counterparts (H2Ns+ and H2Ns-) - a Theoretical and Experimental-Study Nguyen MT, Vanquickenborne LG, Flammang R
4893 - 4902	The Chemical-Bonds in Cuh, Cu-2, NIH, and Ni-2 Studied with Multiconfigurational 2nd-Order Perturbation-Theory Pouamerigo R, Merchan M, Nebotgil I, Malmqvist PA, Roos BO
4903 - 4913	The Geometric Phase in 2 Electronic Level Systems Koizumi H, Sugano S
4914 - 4919	Nonlinear Molecular-Properties Using Biorthogonal Response Approach Vaval N, Ghose KB, Pal S
4920 - 4930	The Valence-Bond Charge-Transfer-Exciton Model for Predicting Nonlinear-Optical Properties (Hyperpolarizabilities and Saturation Length) of Polymeric Materials Lu DQ, Chen GH, Goddard WA
4931 - 4935	Multiconfiguration Self-Consistent-Field Quadratic Response Calculations of the 2-Photon Transition-Probability Rate Constants for Argon Sundholm D, Rizzo A, Jorgensen P
4936 - 4944	Analytic Energy Gradients for the 2-Determinant Coupled-Cluster Method with Application to Singlet Excited-States of Butadiene and Ozone Szalay PG, Bartlett RJ
4945 - 4948	Numerical Hartree-Fock Energies of Low-Lying Excited-States of Neutral Atoms with Z-Less-Than-or-Equal-to-18 Tatewaki H, Koga T, Sakai Y, Thakkar AJ
4949 - 4955	Accurate Electric-Dipole and Quadrupole-Moment, Dipole Polarizability, and First-Dipole and 2nd-Dipole Hyperpolarizability of Ozone from Coupled-Cluster Calculations Maroulis G
4956 - 4963	Static Polarizabilities and Dipole-Moment Derivatives for the Closed-Shell Coupled-Cluster Singles and Doubles Wave-Function Kobayashi R, Koch H, Jorgensen P
4964 - 4974	Structure and Energetics of Van-der-Waals Complexes OD Carbon-Monoxide with Rare-Gases - He-Co and Ar-Co Kukawskatarnawska B, Chalasinski G, Olszewski K
4975 - 4985	The Influence of Structure on Diffusion in Screened Coulombic Suspensions Nilsen SJ, Gast AP
4986 - 4994	Monte-Carlo Evaluation of Ensemble Averages Involving Particle Number Variations in Dense Fluid Systems Kaminsky RD
4995 - 5012	The Langevin/Implicit-Euler/Normal-Mode Scheme for Molecular-Dynamics at Large Time Steps Zhang GH, Schlick T
5013 - 5016	Microphase and Macrophase Separation in Irreversible Reacting Chemical Binary-Mixtures Schulz M, Frisch HL
5017 - 5023	Structure Model of Liquid Water as Investigated by the Method of Reciprocal Space Expansion Iijima T, Nishikawa K
5024 - 5031	How the Unit-Cell Surface-Charge Distribution Affects the Energetics of Ion-Solvent Interactions in Simulations Roberts JE, Schnitker J
5032 - 5039	Treatment of Rotational Isomeric States .3. The Use of Biasing Potentials Straatsma TP, Mccammon JA
5040 - 5046	Transient Electric Birefringence in Solutions of Self-Assembled Rods Vanderschoot P, Cates ME
5047 - 5057	Molecular-Dynamics of Conformational Substates for a Simplified Protein Model Grubmuller H, Tavan P
5058 - 5069	Determination of the Temperature and Concentration-Dependence of the Refractive-Index of a Liquid-Mixture Li WB, Segre PN, Gammon RW, Sengers JV, Lamvik M
5070 - 5075	Calculation of Transport-Properties from Molecular-Dynamics Simulation Baranyai A
5076 - 5080	Size-Corrected Theory of Homogeneous Nucleation Zhukhovitskii DI
5081 - 5092	Unstable Modes in Supercooled and Normal Liquids - Density-of-States, Energy Barriers, and Self-Diffusion Keyes T
5093 - 5109	Investigations into the Common Ion Effect Valdeavella CV, Perkyns JS, Pettitt BM
5110 - 5115	Electrokinetic Properties of a Charged Tracer in a Time-Dependent External-Field Alarconwaess O, Velasco RM
5116 - 5125	Monte-Carlo Simulations of Hydrophobic Interactions - A Test Particle Approach Forsman J, Jonsson B
5126 - 5135	Periodic, Quasi-Periodic, and Chaotic Potentials Generated by Electrochemical Concentration Cells - Local and Global Dynamics Zeyer KP, Munster AF, Hauser MJ, Schneider FW
5136 - 5139	A Modified Kirkwood Coupling Approach for Free-Energy Simulations in Asymmetric Molecular-Systems Li TW, Munoz F, Chimowitz EH
5140 - 5147	Generalized Korteweg Equations for Phase-Separation Near the Critical-Point in Binary Gas-Liquid Mixtures Meijer PH
5148 - 5166	Dielectric-Constant Effects on the Energetics of Oppositely Charged Colloids - A Lattice Field-Theory Study Bental N, Coalson RD
5167 - 5171	Equilibrium Polymerization and Gelation .1. Integral-Equation Theory Weist AO, Glandt ED
5172 - 5178	Molecular Electronics - Disordered Molecular Wires Kemp M, Mujica V, Ratner MA
5179 - 5185	Conformational-Analysis of Double-Tethered Chain Molecules at an Impenetrable Interface - A Monte-Carlo Study Jones RL, Spontak RJ
5186 - 5200	The Kirchhoff Elastic Rod, the Nonlinear Schrodinger-Equation, and DNA Supercoiling Shi YM, Hearst JE
5201 - 5208	Molecular-Dynamics Simulations of Reactions on Metal-Surfaces Sellers H
5209 - 5212	2-Step Melting of 2-Propanol Adsorbed on Graphite Morishige K, Kobayashi N
5213 - 5218	Swelling Effects in Semidilute Block-Copolymer Solutions Mayes AM, Barker JG, Russell TP
5219 - 5228	Viscoelasticity of Lyotropic Smectics Lu CY, Cates ME
5229 - 5261	Angular-Dependence of Deuterium Spin-Lattice Relaxation Rates of Macroscopically Oriented Dilauroylphosphatidylcholine in the Liquid-Crystalline State Trouard TP, Alam TM, Brown MF
5262 - 5266	Microscopic Theory of Molecular-Crystal Surface Polarization, Piezoelectricity, and Pyroelectricity Munn RW
5267 - 5273	Calculation of Surface Quadrupole Field, Polarization, and Pyroelectricity for Anthracene and Pyrene Crystals Gill AJ, Munn RW
5274 - 5280	Nonequilibrium Molecular-Dynamics Simulation of Diffusion and Flow in Thin Microporous Membranes MacElroy JM
5281 - 5292	Conjugated-Circuit Computations on 2-Dimensional Carbon Networks Zhu HY, Balaban AT, Klein DJ, Zivkovic TP
5293 - 5304	Anisotropic Friction and Excluded-Volume Effects in Freely Jointed Bead-Rod Polymer-Chain Models Xu Z, Kim S, Depablo JJ
5305 - 5312	Fully Quantum Study of the 3D Diffractive Scattering of He from Isolated Co Adsorbates on Pt(111) Carre MN, Lemoine D
5313 - 5318	Rotational-Translational Correlations in Photochemically Desorbed Molecules Zimmermann FM, Ho W
5319 - 5328	Angular and Velocity Distributions of Desorbing Product Carbon-Dioxide from 2 Reaction Sites on Platinum(110)(1X2) Ohno Y, Matsushima T, Uetsuka H
5329 - 5342	The Role of Surface Corrugation in Direct Translationally Activated Dissociative Adsorption Xia LQ, Engstrom JR
5343 - 5355	Small-Angle Neutron-Scattering Near Lifshitz Lines - Transition from Weakly Structured Mixtures to Microemulsions Schubert KV, Strey R, Kline SR, Kaler EW
5356 - 5362	Secondary Ions Produced from Gaseous and Frozen H2O Under Energetic (MeV/AMU) Ar Ion Impact Matsuo T, Tonuma T, Kumagai H, Shibata H, Tawara H
5363 - 5366	Is Cross-Talk Between the Lanthanide Charge Reservoir Layers and Superconducting Planes in Cuprates Possible Smentekmielczarek L
5367 - 5371	Temperature of Large Clusters Naher U, Hansen K
5372 - 5387	Thermodynamics of Thin, Diblock Copolymer Films Wong KY, Trache M, Mcmullen WE
5388 - 5401	The Interaction of Hydrogen with a Cobalt(10(1)over-Bar-0) Surface Ernst KH, Schwarz E, Christmann K
5402 - 5405	Alignment of Photoions Far from Threshold Das R, Wu CY, Mihill AG, Poliakoff ED, Wang KS, Mckoy V
5406 - 5409	Anion Photoelectron-Spectroscopy of Small Indium-Phosphide Clusters (Inxpy-X,Y=1-4) Xu CS, Debeer E, Arnold DW, Arnold CC, Neumark DM
5410 - 5412	Large, Mode-Selective Vibrational Effect on the Reaction of C2H2+ with Methane Chiu YH, Fu HS, Huang JT, Anderson SL
5413 - 5413	The Nu(1)+nu(3) Combination-Mode of C-3 in Ar and Kr Matrices - Evidence for a Bent Structure - Comment Almlof J, Jensen P, Northrup FJ, Rohlfing CM, Rohlfing EA, Sears TJ
5414 - 5414	The Nu(1)+nu(3) Combination-Mode of C-3 in Ar and Kr Matrices - Evidence for a Bent Structure - Response Szczepanski J, Vala M