Journal of Chemical Physics

Journal of Chemical Physics, Vol.101, No.3 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (102 articles)

1763 - 1766	Pressure-Induced Disappearance of the Inplane Lattice Distortion in Layered Cupric Chloride - (C2H5Nh3)(2)CuCl4 Moritomo Y, Yokura Y
1767 - 1774	A Raman Investigation of Lead Haloborate Glasses Pan ZD, Henderson DO, Morgan SH
1775 - 1786	Cage-to-Cage Migration Rates of Xe Atoms in Zeolite NAA from Magnetization-Transfer Experiments and Simulations Jameson AK, Jameson CJ, Gerald RE
1787 - 1798	Triplet-State Photoexcitations of Oligothiophene Films and Solutions Janssen RA, Smilowitz L, Sariciftci NS, Moses D
1799 - 1804	Tunneling Frequencies of Nh2D2+ and Ch2D2 in Crystalline Fields of Low-Symmetry Smith D
1805 - 1812	Double-Quantum Homonuclear Rotary Resonance - Efficient Dipolar Recovery in Magic-Angle-Spinning Nuclear-Magnetic-Resonance Nielsen NC, Bildsoe H, Jakobsen HJ, Levitt MH
1813 - 1819	Anomalous Pressure Effects on the Raman-Spectra in Hydrogen-Bonded Molecular Chain Systems Moritomo Y, Tokura Y, Mochida T, Sugawara T, Oohashi T, Kojima T, Istubo A
1820 - 1831	Many-Body Potentials of an Open-Shell Atom - Spectroscopy of Spin-Orbit Transitions of Iodine in Crystalline Xe and Kr Lawrence WG, Apkarian VA
1832 - 1841	H-2 Electron-Spin Echo Envelope Modulation Spectroscopy of Strong, Alpha-Hydrogen Hyperfine Coupling in Randomly Oriented Paramagnetic Systems Warncke K, Mccracken J
1842 - 1851	Franck-Condon Modeling of the Structure of the S-0-)S-2 Transition of Trans,Trans-Octatetraene, Cis,Trans-Octatetraene, and Cis,Cis-Octatetraene Zerbetto F, Zgierski MZ
1852 - 1864	3-Dimensional Variable-Angle Nuclear-Magnetic-Resonance Exchange Spectroscopy Without Rotor Axis Hopping Lee YK, Emsley L, Larsen RG, Schmidtrohr K, Hong M, Frydman L, Chingas GC, Pines A
1865 - 1877	Molecular-Spectroscopy with Light-Pulses of Arbitrary Pulse-Shape and Field-Strength - A Nonperturbative Approach Ebel G, Schinke R
1878 - 1884	Experimental-Study of the Co-O-3 Complex in Argon Matrices - Irradiation at 266-nm Raducu V, Jasmin D, Dahoo R, Brosset P, Gauthierroy B, Abouafmarguin L
1885 - 1889	Stark Energy-Levels of Symmetrical-Top Dipoles - Analytical Expressions for Arbitrary Field Strengths Maergoiz AI, Troe J, Weiss C
1890 - 1903	Overtone Resonance Raman-Scattering Beyond the Condon Approximation - Transform Theory and Vibronic Properties Albrecht AC, Clark RJ, Oprescu D, Owens SJ, Svendsen C
1904 - 1913	Stationary Approaches for Solving the Schrodinger-Equation with Time-Dependent Hamiltonians Yao GH, Wyatt RE
1914 - 1922	High-Accuracy Measurement of Vibrational Raman Bands of Ozone at 266-nm and 270-nm Excitations Chang BY, Kung CY, Kittrell C, Hsiao CW, Johnson BR, Glogover SG, Kinsey JL
1923 - 1929	Experimental Investigation of Vibrational Radiative Lifetimes - H2O+ and D2O+ Ions in Their Ground Electronic-State (X(2)B(1)) Heninger M, Lemaire J, Mauclaire G, Fenistein S, Jullien S, Marx R
1930 - 1938	Electronic-Structure of the Copper(II) Ion Doped in Cubic Kznf3 Dubicki L, Riley MJ, Krausz ER
1939 - 1958	Atom-Molecule Van-der-Waals Complexes Containing Open-Shell Atoms .1. General-Theory and Bending Levels Dubernet ML, Hutson JM
1959 - 1966	Optogalvanic Transients in a Neon Radio-Frequency Discharge Kumar D, Zinn RR, Mcglynn SP
1967 - 1974	The Ultraviolet Effect on the Alanine Radicals and Its Resolution Enhanced Electron-Paramagnetic-Resonance Powder Pattern Cabralprieto A, Urenanunez F, Jimenezdominguez H
1975 - 1987	A Quantitative Approximation for the Quantum Dynamics of Hydrogen-Transfer - Transition-State Dynamics and Decay in Clhcl- Mccoy AB, Gerber RB, Ratner MA
1988 - 1995	Photodissociation Dynamics of Nh2Oh from the First Absorption-Band Gericke KH, Lock M, Schmidt F, Comes FJ
1996 - 2005	Trajectory Simulations for Unimolecular Dissociations with Application to the Dissociation of Ncno Klippenstein SJ
2006 - 2015	The Reactive Flux Method in the Energy Diffusion Regime .1. Effect of Slow Vibrational-Energy Relaxation Tucker SC
2016 - 2022	An Inversion Procedure from Rotational Total Cross-Sections Belchior JC, Murrell JN
2023 - 2032	Determination of Diabatic Coupling Potentials by the Inversion of Inelastic Atom-Atom Scattering Data - Case-Studies for He++ne and Li+i Boyd R, Ho TS, Rabitz H, Padmavathi DA, Mishra MK
2033 - 2050	Reactions of Velocity-Aligned Atoms Probed by Doppler Profiles - H+o-2-)Oh+o Kim HL, Wickramaaratchi MA, Zheng XN, Hall GE
2051 - 2068	Fluctuations in Absorption-Spectra and Final Product State Distributions Following Photodissociation Processes Vondirke M, Heumann B, Kuhl K, Schroder T, Schinke R
2069 - 2080	Photoionization of Gas-Phase Bromotrifluoromethane and Its Complexes with Methanol - State Dependence of Intracluster Reactions Clay JT, Walters EA, Grover JR, Willcox MV
2081 - 2090	A 3-Dimensional Quantum-Mechanical Theory to Treat Tetra-Atom Reactions - State-to-State Dress Sections for the H-2+oh-)H2O+h Process Szichman H, Baer M
2091 - 2097	Studies on Dynamics of Mu-Reaction with NO2 by Muon Spin-Resonance and Relaxation Techniques Sugai T, Sakamoto M, Matsushita A, Nishiyama K, Nagamine K, Kondow T
2098 - 2105	Detailed Rate Coefficients and the Enthalpy Change of the Equilibrium Reaction Oh+c6H6(--)(Hoc6H6)-H-M over the Temperature-Range 345-385-K Lin SC, Kuo TC, Lee YP
2106 - 2125	High-Resolution Crossed Molecular-Beam Investigation of the Absolute Cross-Sections and Product Rotational States for the Reaction F+d-2, (V(I)=0 J(I)=0,1)-)DF(V(F)J(F))+d Faubel M, Rusin L, Schlemmer S, Sondermann F, Tappe U, Toennies JP
2126 - 2140	Quantum 3-Dimensional Calculation of Endohedral Vibrational Levels of Atoms Inside Strongly Nonspherical Fullerenes - Ne-at-C-70 Mandziuk M, Bacic Z
2141 - 2147	The Structures, Energies, Vibrational, and Rotational Frequencies, and Dissociation-Energy of Geh5+ Schreiner PR, Schaefer HF, Vonragueschleyer P
2148 - 2156	Potential-Energy Surfaces for Rh-Co, Rh-Oc, Ir-Co, and Ir-Oc Interactions Dai DG, Balasubramanian K
2157 - 2167	Locating Transition-States by Quadratic Image Gradient Descent on Potential-Energy Surfaces Sun JQ, Ruedenberg K
2168 - 2174	A Simple Prediction of Approximate Transition-States on Potential-Energy Surfaces Ruedenberg K, Sun JQ
2175 - 2179	Is the Depletion of Ozone by Hso an Exothermic Process Esseffar M, Mo O, Yanez M
2180 - 2185	Vibrational Corrections for Some Electric and Magnetic-Properties of H-2, N-2, HF, and Co Bishop DM, Cybulski SM
2186 - 2191	Coupled-Cluster Calculations of Indirect Nuclear Coupling-Constants - The Importance of Non-Fermi Contact Contributions Perera SA, Sekino H, Bartlett RJ
2192 - 2197	A Theoretical-Study on the First Ionic State of Benzene with Analysis of Vibrational Structure of the Photoelectron-Spectrum Takeshita K
2198 - 2204	A Theoretical-Study on the Ionization of Pyrrole with Analysis of Vibrational Structure of the Photoelectron-Spectra Takeshita K, Yamamoto Y
2205 - 2212	General Strategy for the Ab-Initio Calculation of Exchange Coupling in Polynuclear Complexes Handrick K, Malrieu JP, Castell O
2213 - 2216	The Molecular-Structure of C-6 - A Theoretical Investigation Hutter J, Luthi HP
2217 - 2230	Energy-Levels and Structure of Tetra-Atomic Van-der-Waals Clusters Villarreal P, Roncero O, Delgadobarrio G
2231 - 2243	Potential-Energy Surface of the H-3(+) Ground-State in the Neighborhood of the Minimum with Microhartree Accuracy and Vibrational Frequencies Derived from It Rohse R, Kutzelnigg W, Jaquet R, Klopper W
2244 - 2249	Quantum-Chemical Study of Lithium-C-60 Clusters Zimmermann U, Burkhardt A, Malinowski N, Naher U, Martin TP
2250 - 2260	Semiclassical Propagation for Multidimensional Systems by an Initial-Value Method Kay KG
2261 - 2266	Dodecahedral and Smaller Arsenic Clusters - As-N, N=2, 4, 12, 20 Shen MZ, Schaefer HF
2267 - 2272	Cross-Sections for Molecular Aggregation with Positional and Orientational Restrictions Ziabicki A, Jarecki L
2273 - 2282	The Interaction of Ions in an Ionic Medium Fisher ME, Levin Y, Li XJ
2283 - 2288	Monte-Carlo Simulation for Chain Molecules in Supercritical Ethane Koga Y, Iwai Y, Arai Y
2289 - 2301	Determining the Density-of-States and Partition-Function for Polyatomic-Molecules Kusnezov D
2302 - 2308	Absolute Entropy of Simple Point-Charge Model Water by Adiabatic Switching Processes Tsao LW, Sheu SY, Mou CY
2309 - 2318	Condensation of a Supersaturated Vapor .9. Nucleation on Ions Katz JL, Fisk JA, Chakarov VM
2319 - 2328	From Ionic Aqueous Solvation Shell to Bulk Fluid - A Structural-Energetic Stability Problem Degreve L, Quintale C
2329 - 2337	A Monte-Carlo Simulation of Localized Corrosion Reigada R, Sagues F, Costa JM
2338 - 2349	Lattice Theory of Solvation and Dissociation in Macromolecular Fluids .2. Quasi-Chemical Approximation Olender R, Nitzan A
2350 - 2354	Elastic-Constants of Ice-III by Brillouin Spectroscopy Tulk CA, Gagnon RE, Kiefte H, Clouter MJ
2355 - 2364	A Model for the Structure of Square-Well Fluids Yuste SB, Santos A
2365 - 2371	Detailed Thermal Study of the Rotator Phase of Pure Heptacosane (N-C27H56) by Alternating-Current Calorimetry Saruyama Y, Takamizawa K, Urabe Y
2372 - 2378	The Role of Excitons in Argon Cluster Ion Decay Devries J, Kamke B, Steger H, Weisser B, Honka M, Kamke W
2379 - 2390	The Structure of Water at a Planar Wall - An Integral-Equation Approach with the Central Force Model Vossen M, Forstmann F
2391 - 2397	Frustration-Limited Clusters in Liquids Kivelson SA, Zhao XL, Kivelson D, Fischer TM, Knobler CM
2398 - 2406	Toward a Molecular Theory of Vapor-Phase Nucleation .4. Rate Theory Using the Modified Liquid-Drop Model Weakliem CL, Reiss H
2407 - 2420	Solvent-Induced Forces Between Solutes - A Time-Resolved and Space-Resolved Molecular-Dynamics Study Bruge F, Fornili SL, Palmavittorelli MB
2421 - 2431	Computer-Simulation of Solid C-60 Using Multiple Time-Step Algorithms Procacci P, Berne BJ
2432 - 2445	Structure of 2-Component Clusters Clarke AS, Kapral R, Patey GN
2446 - 2454	Quantum Stochastic Approach for Molecule/Surface Scattering .2. Adsorption Resonances of He Atoms on Xe Overlayers Bittner ER, Light JC
2455 - 2462	Dynamic Scattering Function for Diblock Copolymer Chains in Dilute-Solutions Rey A, Freire JJ
2463 - 2475	Adsorption, Desorption, and Decomposition of HCl and HBr on Ge(100) - Competitive Pairing and Near-First-Order Desorption-Kinetics Develyn MP, Yang YM, Cohen SM
2476 - 2488	Ab-Initio Potential and Variational Transition-State Theory Rate-Constant for H-Atom Association with the Diamond(111) Surface Desainteclaire P, Barbarat P, Hase WL
2489 - 2497	Monte-Carlo Simulation of Confined Semiflexible Polymer Melts Yethiraj A
2498 - 2507	Molecular Evaporation and Condensation of Liquid N-Alkane Films Xia TK, Landman U
2508 - 2514	Remark Concerning the Theory of the Tilting Transition in Expanded Langmuir Monolayers Shin SM, Rice SA
2515 - 2521	A Conformational Interpretation for the Peak of Reduced Viscosity for Polyelectrolytes at Low Ionic-Strength Reed WF
2522 - 2531	Monte-Carlo Simulation of Lennard-Jones Chains Li XJ, Chiew YC
2532 - 2538	Analytical Model for the Microscopic Nonaffine Deformation of Polymer Networks Glatting G, Winkler RG, Reineker P
2539 - 2547	The Thermal Roughening of Liquid Surfaces and Its Effect on Gas-Liquid Collisions King ME, Saecker ME, Nathanson GM
2548 - 2553	Excess Volume of Oligomer Blends - A Numerical Study Schulz M, Reineker P
2554 - 2561	Torsional Time-Correlation Function for One-Dimensional Systems with Barrier Crossing - Periodic Potential Perico A, Pratolongo R, Freed KF, Szabo A
2562 - 2568	A Direct Measurement of the Polyion Conformation in Aqueous-Solutions at Different Temperatures - Small-Angle Neutron-Scattering of Pssna Using Zero Average and Full Contrast Boue F, Cotton JP, Lapp A, Jannink G
2569 - 2576	Forces Between Polyelectrolyte Coated Surfaces in the Presence of Electrolyte Woodward CE, Akesson T, Jonsson B
2577 - 2591	Quantum Monte-Carlo Studies of Small B(H-2)(N) Clusters Vegiri A, Alexander MH, Gregurick S, Mccoy AB, Gerber RB
2592 - 2599	Small-Angle Neutron-Scattering from Polymer Blends in the Dilute Concentration Limit Briber RM, Bauer BJ, Hammouda B
2600 - 2605	On the Mechanism and Surface-Morphology of Gallium-Arsenide Laser-Assisted Etching by Chlorine at 193-nm Tejedor P, Briones F
2606 - 2615	Stick to Slip Transition and Adhesion of Lubricated Surfaces in Moving Contact Reiter G, Demirel AL, Peanasky J, Cai LL, Granick S
2616 - 2629	Hybrid Monte-Carlo Simulations of Dense Polymer Systems Forrest BM, Suter UW
2630 - 2631	Near-Ultraviolet Photolysis of C2H2 - A Precise Determination of D-0(HCC-H) Mordaunt DH, Ashfold MN
2632 - 2633	Self-Organized Spiral and Circular Waves in Premixed Gas Flames Pearlman HG, Ronney PD
2634 - 2637	Molecular Hyperfine-Structure in the Photoassociation Spectroscopy of Laser Cooled Atoms Williams CJ, Julienne PS
2638 - 2641	Photoassociative Spectroscopy of 1(G)-State, 0(U)(+)-State and 0(G)(-)-State of Na-2 Ratliff LP, Wagshul ME, Lett PD, Rolston SL, Phillips WD
2642 - 2643	Hierarchical Structure in the 3-Nu(1) Band of Propyne Davis MJ, Bethardy GA, Lehmann KK
2644 - 2645	A Redetermination of the Dissociation-Energy of Mgo+ Bauschlicher CW, Langhoff SR, Partridge H
2646 - 2647	Hyperfine Interaction of Nd(10)(N+1)S(1) Impurities in Zinc Chalcogenides Bucher M
2648 - 2649	Temperature-Programmed Desorption of Molecular-Hydrogen from a Si(100)-2X1 Surface - Theory and Experiment - Comment Nachtigall P, Jordan KD
2650 - 2651	Temperature-Programmed Desorption of Molecular-Hydrogen from a Si(100)-2X1 Surface - Theory and Experiment - Reply Flowers MC, Jonathan NB, Liu Y, Morris A
2652 - 2653	A Multiconfiguration Time-Dependent Hartree Approximation Based on Natural Single-Particle States Manthe U
2654 - 2654	A Multiconfiguration Time-Dependent Hartree Approximation Based on Natural Single-Particle States - Response Jansen AP