Journal of Chemical Physics

Journal of Chemical Physics, Vol.101, No.2 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (99 articles)

861 - 868	Rotational Spectra and Structures of Rg-C6H6-H2O Trimers and the Ne-C6H6 Dimer (Rg=ne, Ar, or Kr) Arunan E, Emilsson T, Gutowsky HS
869 - 875	The Normal to Local Mode Transition in Ab(2) Triatomic-Molecules - The Susceptibility of Eigenstates to Symmetry-Breaking Perturbations Schmid GM, Coy SL, Field RW, Silbey RJ
876 - 881	Potential Curve of NaK a (3)Sigma(+) State Near Dissociation Limit Ishikawa K, Mukai N, Tanimura M
882 - 890	Reactions of Rydberg States of Molecular-Hydrogen Pratt ST, Dehmer JL, Dehmer PM, Chupka WA
891 - 898	Pyrolysis Jet Spectroscopy and Ab-Initio Studies of the S-1 and T-1 States of Germanium Difluoride Karolczak J, Grev RS, Clouthier DJ
899 - 904	C-13 Nuclear-Magnetic-Resonance Study of the Solution-State Dynamics of Benzene Coupry C, Chenon MT, Werbelow LG
905 - 911	Measurement of the Vibrational Zeeman-Effect for Hcf3 Using Magnetic Vibrational Circular-Dichroism Wang BL, Keiderling TA
912 - 922	Study of Low-Lying Electronic States of Ozone by Anion Photoelectron-Spectroscopy of O-3(-) Arnold DW, Xu CS, Kim EH, Neumark DM
923 - 928	Multichannel Quantum-Defect Theory Simulation of the Zero-Kinetic-Energy Photoelectron-Spectrum of H-2 Softley TP, Hudson AJ
929 - 936	Study of the Lihg Excimer - Blue-Green Bands Gruber D, Musso M, Windholz L, Gleichmann M, Hess BA, Fuso F, Allegrini M
937 - 949	The Nu(1) Band of Ketene Escribano R, Domenech JL, Cancio P, Ortigoso J, Santos J, Bermejo D
950 - 958	A Spherical Top or a Symmetrical-Top - A Photoacoustic Titanium-Sapphire Ring Laser Spectrum of the 6th Stretching Vibrational Overtone Band System of (Snh4)-Sn-116 Halonen M, Zhan XW
959 - 964	Spectroscopy of a Chromophore Coupled to a Lattice of Dynamic 2-Level Systems .1. Absorption-Line Shape Reilly PD, Skinner JL
965 - 973	Spectroscopy of a Chromophore Coupled to a Lattice of Dynamic 2-Level Systems .2. Spectral Diffusion Kernel Reilly PD, Skinner JL
974 - 989	Zero-Kinetic-Energy Photoelectron-Spectroscopy of the Hydrogen-Bonded Phenol-Water Complex Dopfer O, Reiser G, Mullerdethlefs K, Schlag EW, Colson SD
990 - 997	Ab-Initio Study of the Phenol-Water Cation-Radical Hobza P, Burcl R, Spirko V, Dopfer O, Mullerdethlefs K, Schlag EW
998 - 1005	Deexcitation Electron-Spectroscopy of Core-Excited No as a Function of Excitation-Energy Carroll TX, Coville M, Morin P, Thomas TD
1006 - 1018	Calculated Rotational Spectrum of Ar...Co from an Ab-Initio Potential-Energy Surface - A Very Floppy Van-der-Waals Molecule Castells V, Halberstadt N, Shin SK, Beaudet RA, Wittig C
1019 - 1028	Polarization of Atomic Photofragment Fluorescence for Excitation Along a Fano Profile - A Quantum-Mechanical Study Siebbeles LD, Glassmaujean M
1029 - 1036	Theoretical-Study on the Ground and Excited-States of the Chromate Anion Cro42- Jitsuhiro S, Nakai H, Hada M, Nakatsuji H
1037 - 1049	Theory of Spectral-Line Shape .1. Formulation and Line Coupling Roney PL
1050 - 1060	Theory of Spectral-Line Shape .2. Collision Time Theory and the Line Wing Roney PL
1061 - 1071	Coherent Anti-Stokes-Raman Spectroscopy Study of Collisional Broadening in the O-2-H2O Q-Branch Fanjoux G, Millot G, Saintloup R, Chaux R, Rosenmann L
1072 - 1092	Reduction of Degenerate 4-Wave-Mixing Spectra to Relative Populations .1. Weak-Field Limit Williams S, Zare RN, Rahn LA
1093 - 1107	Reduction of Degenerate 4-Wave-Mixing Spectra to Relative Populations .2. Strong-Field Limit Williams S, Zare RN, Rahn LA
1108 - 1115	Direct Measurements of Rotation-Specific, State-to-State Vibrational-Energy Transfer in Highly Vibrationally Excited Acetylene Tobiason JD, Utz AL, Crim FF
1116 - 1128	Nuclear-Spin Relaxation in Paramagnetic-Complexes in the Slow-Motion Regime for the Electron-Spin - The Anisotropic Pseudorotation Model for S=1 and the Interpretation of Nuclear Magnetic-Relaxation Dispersion Results for a Low-Symmetry Ni(II) Complex Larsson T, Westlund PO, Kowalewski J, Koenig SH
1129 - 1145	Accurate Ab-Initio Potential-Energy Surfaces of Ar-HF, Ar-H2O, and Ar-NH3 Tao FM, Klemperer W
1146 - 1156	Full-Dimensional Time-Dependent Treatment for Diatom-Diatom Reactions - The H-2+oh Reaction Zhang DH, Zhang JZ
1157 - 1164	Evidence for the Formation of Clathrate Structures of Protonated Water-Methanol Clusters at Thermal-Energy Zhang X, Castleman AW
1165 - 1171	State-to-State Dynamics of Atom Plus Polyatom Reactions .3. The H+cdcl3-)-HD(V’,J’)+ccl3 Reaction Lanzisera DV, Valentini JJ
1172 - 1187	A General-Analysis of Approximate Nonlinear Lumping in Chemical-Kinetics .1. Unconstrained Lumping Li GY, Tomlin AS, Rabitz H, Toth J
1188 - 1201	A General-Analysis of Approximate Nonlinear Lumping in Chemical-Kinetics .2. Constrained Lumping Tomlin AS, Li GY, Rabitz H, Toth J
1202 - 1218	First Spectroscopic Evidence for a Muonium-Containing Molecule - Nemu-Asterisk Chemiluminescence Baer S, Fleming DG, Sloan JJ, Arseneau DJ, Kolbuszewski M, Wright J, Senba M, Pan JJ, Snooks R
1219 - 1224	Aluminum-Sulfur Cluster Ions - Formation and Photolysis Zhang N, Shi Y, Gao Z, Kong FN, Zhu QH
1225 - 1230	Characterization of a Molecular-Beam Containing Metastable Nitrogen and Its Use in Scattering Experiments with Xenon Cappelletti D, Liuti G, Luzzatti E, Pirani F
1231 - 1241	Exact Quantum and Time-Dependent Hartree Studies of the HBr/LiF(001) Photodissociation Dynamics Fang JY, Guo H
1242 - 1250	Further Analysis of Solutions to the Time-Independent Wave-Packet Equations for Quantum Dynamics - General Initial Wave-Packets Hoffman DK, Huang YH, Zhu W, Kouri DJ
1251 - 1261	Rate Expressions for Excitation Transfer .1. Radiationless Transition Theory Perspective Scholes GD, Ghiggino KP
1262 - 1271	Observation of an Anomalous Increase in Total Cross-Sections with High Vibrational-Excitation in the Li-2 (V=0-21)+na Reactive System Rubahn HG, Slenczka A, Toennies JP
1272 - 1281	Exact-Solutions of Regular Approximate Relativistic Wave-Equations for Hydrogen-Like Atoms Vanleeuwen R, Vanlenthe E, Baerends EJ, Snijders JG
1282 - 1288	Static Dipole Polarizabilities of N-2, O-2, F2, and H2O Spelsberg D, Meyer W
1289 - 1292	Reaction Barrier for the Methyldiazenyl Radical Decomposition (Ch3N2-)Ch3+n-2) Hu CH, Schaefer HF
1293 - 1301	Torsional Dependence of Molecular Electrical-Properties and Long-Range Interactions - CH3OH-Rare Gas Systems Davis SL, Dennison EC
1302 - 1315	Integrating the Car-Parrinello Equations .1. Basic Integration Techniques Tuckerman ME, Parrinello M
1316 - 1329	Integrating the Car-Parrinello Equations .2. Multiple Time-Scale Techniques Tuckerman ME, Parrinello M
1330 - 1332	Extrapolated Born-Oppenheimer Energy for the Ground-State of the Hydrogen Molecule Kolos W
1333 - 1342	Variational Transition-State Theory Calculation Using the Direct Dynamics Method - Nh3+h-)Nh2+h-2 Reaction Espinosagarcia J, Corchado JC
1343 - 1360	Discrete Variable Representations of Complicated Kinetic-Energy Operators Wei H, Carrington T
1361 - 1368	The Reaction of NH2 (X B-2(1)) with O (X P-3) - A Theoretical-Study Employing Gaussian-2 Theory Yang DL, Koszykowski ML, Durant JL
1369 - 1377	Ab-Initio Study of Torsional Potentials in 2,2’-Bithiophene and 3,4’-Dimethyl-2,2’-Bithiophehene and 3,3’-Dimethyl-2,2’-Bithiophene as Models of the Backbone Flexibility in Polythiophene and Poly(3-Methylthiophene) Hernandez V, Navarrete JT
1378 - 1391	The Complex of N-2 with H2O, D2O, and HDO - A Combined Ab-Initio and Diffusion Monte-Carlo Study Sandler P, Jung JO, Szczesniak MM, Buch V
1392 - 1411	A Kinetic-Theory of Suspensions .2. The Steady Flow of a Hard-Sphere Suspension Jorquera H, Dahler JS
1412 - 1416	Local Vibrational Densities of States in Glasses - Numerical Study of a Model of Amorphous-Silicon Ishibashi K, Tsumuraya K, Nakata S
1417 - 1422	Molecular-Dynamics Free-Energy Calculation in 4 Dimensions Beutler TC, Vangunsteren WF
1423 - 1430	Heat-Flux Induced by an External Force in a Strongly Shearing Dilute Gas Garzo V
1431 - 1434	Poisson-Boltzmann Calculations of Ions in Charged Capillaries Lo WY, Chan KY
1435 - 1443	Crystal-Field, Orientational Order, and Lattice Contraction in Solid C-60 Lamoen D, Michel KH
1444 - 1451	Phase-Diagram of a Model Protein-Derived by Exhaustive Enumeration of the Conformations Dinner A, Sali A, Karplus M, Shakhnovich E
1452 - 1459	Free-Energy and Phase-Equilibria for the Restricted Primitive Model of Ionic Fluids from Monte-Carlo Simulations Orkoulas G, Panagiotopoulos AZ
1460 - 1476	Free-Energy Barriers to Melting in Atomic Clusters Lyndenbell RM, Wales DJ
1477 - 1489	Bond-Bias Simulation of Phase-Equilibria for Strongly Associating Fluids Tsangaris DM, Depablo JJ
1490 - 1502	Fluid Alkanes in Confined Geometries Padilla P, Toxvaerd S
1503 - 1512	Initiation of a Phase-Transition by Preexisting Nuclei Shneidman VA, Hanggi P
1513 - 1518	Remarkably Small Critical Exponent for the Viscosity of a Polymer-Solution Berg RF, Gruner K
1519 - 1528	Folding Kinetics of Proteinlike Heteropolymers Socci ND, Onuchic JN
1529 - 1546	Reaction of an H-Atom Beam with Cl/Au(111) - Dynamics of Concurrent Eley-Rideal and Langmuir-Hinshelwood Mechanisms Rettner CT
1547 - 1554	Water Chemistry on Surface Defect Sites - Chemidissociation Versus Physisorption on MgO(001) Scamehorn CA, Harrison NM, Mccarthy MI
1555 - 1563	Symmetry and Rotational Orientation Effects in Dissociative Adsorption of Diatomic-Molecules on Metals - H-2 and HD on Cu(111) Dai JQ, Sheng J, Zhang JZ
1564 - 1581	A Statistical-Model for Activated Dissociative Adsorption - Application to Methane Dissociation on Pt(111) Ukraintsev VA, Harrison I
1582 - 1594	Competition Between Continuous Etching and Surface Passivation for Cl-2 Chemisorption Onto GaAs(100) C(8X2), GaAs(100) C(2X8), and GaAs(110) (1X1) Surfaces Sullivan DJ, Flaum HC, Kummel AC
1595 - 1606	Calculation of the Dynamic Structure Factor in Polymer Melts Chatterjee AP, Loring RF
1607 - 1615	Germanium Quantum Dots - Optical-Properties and Synthesis Heath JR, Shiang JJ, Alivisatos AP
1616 - 1624	Monte-Carlo Simulation of the Glass-Transition in 2-Dimensional and 3-Dimensional Polymer Melts - Influence of the Spatial Dimension Lobe B, Baschnagel J
1625 - 1631	Reversing-Pulse Electric Birefringence of Disk-Like Suspension in the Low Electric-Field Region - An Extension of the Ion-Fluctuation Model Yamaoka K, Tanigawa M, Sasai R
1632 - 1637	Dynamic Monte-Carlo Description of Thermal-Desorption Processes Weinketz S
1638 - 1647	Diffusion of Hydrogen-Atoms on a Si(111)-(7X7) Reconstructed Surface - Monte-Carlo Variational Phase-Space Theory Sorescu DC, Thompson DL, Raff LM
1648 - 1660	Carbon-Monoxide Adlayer Structures on Platinum(111) Electrodes - A Synergy Between in-Situ Scanning-Tunneling-Microscopy and Infrared-Spectroscopy Villegas I, Weaver MJ
1661 - 1667	Hybrid Monte-Carlo Simulation of Polymer-Chains Irback A
1668 - 1672	Effect of Lateral Interactions on the Kinetics of the Oxidation of Carbon-Monoxide on Palladium Araya P, Cortes J
1673 - 1678	A Photoluminescence Study of Poly(Phenylene Vinylene) Derivatives - The Effect of Intrinsic Persistence Length Gettinger CL, Heeger AJ, Drake JM, Pine DJ
1679 - 1686	Structure and Optical Anisotropies of Critical Polymer-Solutions in Electric-Fields Wirtz D, Werner DE, Fuller GG
1687 - 1692	Equilibrium Determination of H2O Desorption Kinetic-Parameters of H2O/K/Ni(111) Kuch W, Schnurnberger W, Schulze M, Bolwin K
1693 - 1703	The Internal and Translational Energy-Dependence of Molecular Condensation Coefficients - SF6 and CCl4 Sibener SJ, Lee YT
1704 - 1716	Picosecond Time-Resolved Adsorbate Response to Substrate Heating - Spectroscopy and Dynamics of Co/Cu(100) Germer TA, Stephenson JC, Heilweil EJ, Cavanagh RR
1717 - 1720	Time-Resolved Frequency-Modulation Spectroscopy of Photochemical Transients Bloch JC, Field RW, Hall GE, Sears TJ
1721 - 1724	Effect of Sheer on the Desorption of Oligomers in Nanoscopically Confined Films Manias E, Hadziioannou G, Tenbrinke G
1725 - 1729	Spectral Quantization of Transition-State Dynamics for the 3-Dimensional H+h2 Reaction Skodje RT, Sadeghi R, Koppel H, Krause JL
1730 - 1733	Single Hop Diffusion of Co from Bridge to Top Sites on Pt(111) Nekrylova JV, Harrison I
1734 - 1737	First-Principles Molecular-Dynamics Study of Surface Vibrations and Vibrational-Mode Coupling on the H/Si(111)1X1 Surface Gai HD, Voth GA
1738 - 1740	Automatic Numerical-Integration Techniques for Polyatomic-Molecules - Backward Trimming Perezjorda JM
1741 - 1744	Vibrational Photon-Echoes in a Liquid and Glass - Room-Temperature to 10-K Tokmakoff A, Zimdars D, Sauter B, Francis RS, Kwok AS, Fayer MD
1745 - 1747	Parametric Light-Scattering Verbiest T, Kauranen M, Persoons A
1748 - 1751	Ultra-Low Temperature Kinetics of Neutral-Neutral Reactions - New Experimental and Theoretical Results for Oh+hbr Between 295-K and 23-K Sims IR, Smith IW, Clary DC, Bocherel P, Rowe BR
1752 - 1754	Symmetry Demand in Polar Excited-State Formation of 9,9’-Bianthryl in Clusters with Some Ketones Honma K, Kajimoto O
1755 - 1756	Application of the Total-Correlation Function Formulation of Ordered Systems to Nematic Hard Ellipsoids Kromhout RA, Linder B
1757 - 1757	The Theological Behavior of Concentrated Colloidal Dispersions - Comment Cichocki B, Felderhof BU
1758 - 1758	The Rheological Behavior of Concentrated Colloidal Dispersions - Response Brady JF
1759 - 1759	Applicability of Valence-Universal Multireference Coupled-Cluster Theories to Quasi-Degenerate Electronic States .1. Models Involving at Most 2-Body Amplitudes (Vol 97, Pg 7600, 1992) Jankowski K, Paldus J, Grabowski I, Kowalski K