Journal of Chemical Physics

Journal of Chemical Physics, Vol.100, No.11 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (88 articles)

7855 - 7866	Non-Markovian Optical Dephasing Dynamics in Room-Temperature Liquids Investigated by Femtosecond Transient Absorption-Spectroscopy - Theory and Experiment Cong PJ, Yan YJ, Deuel HP, Simon JD
7867 - 7874	Electron-Spin-Resonance Investigation of Small Magnesium Cluster Cation Radicals, Mg-N(+), in Neon and Argon Matrices at 4 K - Comparison with Ab-Initio Calculations Knight LB, Cleveland CB, Frey RF, Davidson ER
7875 - 7889	Transient Changes in Polarizability for Centrosymmetric Linear-Molecules Interacting at Long-Range - Theory and Numerical Results for H-2...H-2, H-2...N-2, and N-2...N-2 Li X, Hunt KL
7890 - 7902	Characterization of Particles by Modulated Dynamic Light-Scattering .1. Theory Dahneke BE, Hutchins DK
7903 - 7915	Characterization of Particles by Modulated Dynamic Light-Scattering .2. Experiment Hutchins DK, Dahneke BE
7916 - 7927	High-Resolution Study of Methanes 3-Nu(1)+nu(3) Vibrational Overtone Band Boraas K, Li Z, Reilly JP
7928 - 7937	High-Resolution Fourier-Transform Emission-Spectrum of the (2) (3)Pi(G)-A (3)Pi(U) Transition of the B-2 Molecule Brazier CR, Carrick PG
7938 - 7944	Vibron Dynamics in Naphthalene Crystal Panero C, Bini R, Schettino V
7945 - 7956	Photodissociation Spectroscopy of Mg+ Rare-Gas Complexes Pilgrim JS, Yeh CS, Berry KR, Duncan MA
7957 - 7972	The F Rydberg Series in the Absorption-Spectrum of N-2 Huber KP, Jungen C, Yoshino K, Ito K, Stark G
7973 - 7983	Exploiting the Properties of Line-Shape Singularities in Orientationally Selected Electron-Spin Echo Envelope Modulation Spectra of Cu--(2+)(N-15-Imidazole)(4) for the Determination of Hyperfine Coupling with the Remote Imidazole Nitrogen Dikanov SA, Spoyalov AP, Huttermann J
7984 - 7994	One-Color and 2-Color 2-Photon Resonance-Enhanced Multiphoton Ionization Spectroscopy of the D(1)Sigma(+) State of NH Wales NP, Debeer E, Westwood NP, Buma WJ, Delange CA, Vanhemert MC
7995 - 8002	Vibrational Circular-Dichroism Intensities by Ab-Initio 2nd-Order Moller-Plesset Vibronic Coupling Theory Yang DY, Rauk A
8003 - 8009	Absorption and Fluorescence of Tl Atoms in Rare-Gas Matrices Wurfel BE, Thoma A, Schallmoser G, Lammers A, Bondybey VE
8010 - 8013	Reactions of Thermal Hydrogen-Atoms in Ethane and Propane at 10 K - Secondary Site Selectivity in Hydrogen Abstraction from Propane Adrian FJ, Bohandy J, Kim BF
8014 - 8025	A Direct Ab-Initio Dynamics Approach for Calculating Thermal Rate Constants Using Variational Transition-State Theory and Multidimensional Semiclassical Tunneling Methods - An Application to the Ch4+h(--)Ch3+h-2 Reaction Truong TN
8026 - 8039	Differential Cross-Sections for Fine-Structure Transitions in O(P-3(2))+ar Collisions Ma Z, Liu K, Harding LB, Komotos M, Schatz GC
8040 - 8046	Measurement of the V-T Energy-Transfer Rates of Highly Excited (2)A(1) NO2 Mazely TL, Friedl RR, Sander SP
8047 - 8054	Rotationally Resolved Nonresonant 2-Photon Ionization of SH Hsu CW, Baldwin DP, Liao CL, Ng CY
8055 - 8064	Primary and Secondary Dissociation Pathways in the Ultraviolet Photolysis of Cl2O Nelson CM, Moore TA, Okumura M, Minton TK
8065 - 8071	Vibrational Predissociation Rate from Dynamics of a Full Collision - A Test of the Landau Method Against the Exact Results Kami Y, Nikitin EE
8072 - 8079	Deexcitation of He(2(1)P) in a Collision with Ne Kitajima M, Hidaka K, Kusumori H, Ukai M, Kouchi N, Hatano Y
8080 - 8088	Molecular-Potential Energy Surfaces by Interpolation Ischtwan J, Collins MA
8089 - 8095	Exact Quantum Monte-Carlo Calculations of the Potential-Energy Surface for the Reaction H+h-2-)+h-2+h Diedrich DL, Anderson JB
8096 - 8102	A Classical Trajectory Study of Cd2Hnc Isomerization Marks AJ
8103 - 8108	Production of the Electronically Excited Nacd Excimer via Resonant Excitation of the Metastable Cd(5P(3)P(1)) Level Gruber D, Domiaty U, Windholz L, Jager H, Musso M, Allegrini M, Fuso F, Winkler A
8109 - 8124	Solvent Dynamical Effects on Bond-Breaking Electron-Transfer Reactions Zhu JJ, Spirina OB, Cukier RI
8125 - 8131	Magnetic Screening of Nuclei by Electrons as an Effect of Geometric Vector Potential Yin L, Mead CA
8132 - 8139	Benchmark Studies Electron Correlation in 6-Electron Systems Fermann JT, Sherrill CD, Crawford TD, Schaefer HF
8140 - 8144	Numerical Hartree-Fock Energies of Singly Charged Cations and Anions with N-Less-Than-or-Equal-to-54 Koga T, Tatewaki H, Thakkar AJ
8145 - 8155	Ab-Initio Relativistic Effective Potentials with Spin-Orbit Operators .V. Ce Through Lu Ross RB, Gayen S, Ermler WC
8156 - 8168	Integrals over B-Functions Basis-Sets .1. 3-Center Molecular Integrals, a Numerical Study Bouferguene A, Fares M, Rinaldi D
8169 - 8177	Generation of Pseudopotentials from Correlated Wave-Functions Acioli PH, Ceperley DM
8178 - 8185	Multiconfigurational Self-Consistent-Field Calculations of Nuclear Shieldings Using London Atomic Orbitals Ruud K, Helgaker T, Kobayashi R, Jorgensen P, Bak KL, Jensen HJ
8186 - 8193	On the Performance of Correlation Consistent Basis-Sets for the Calculation of Total Atomization Energies, Geometries, and Harmonic Frequencies Martin JM
8194 - 8203	Finite-Temperature Characterization of Ferrocene from First-Principles Molecular-Dynamics Simulations Margl P, Schwarz K, Blochl PE
8204 - 8211	Nonadiabatic Perturbations and Fine Structure Splittings in the 1,2(3)Pi(G), States of B-2 - An Analysis Based on Adiabatic and Rigorous Diabatic States Manaa MR, Yarkony DR
8212 - 8218	Potential-Energy Curves of M(Np(2)P)Center-Dot-Rg((2)-UPI) Excited-States and M+center-Dot-Rg Ground-States (M=li, Na - Rg=he, Ne) Bililign S, Gutowski M, Simons J, Breckenridge WH
8219 - 8232	Many-Body Perturbation-Theory Electronic - Structure Calculations for the Methoxy Radical .2. Hyperfine Coupling-Coefficients Bent GD
8233 - 8239	A Density-Functional Study of FeCo, FeCo-, and Feco+ Castro M, Salahub DR, Fournier R
8240 - 8250	Solvent-Induced Polarizabilities and Hyperpolarizabilities of Para-Nitroaniline Studied by Reaction Field Linear-Response Theory Mikkelsen KV, Luo Y, Agren H, Jorgensen P
8251 - 8256	Accurate Spectroscopic Constants for the Cd(S-1, P-3, P-1)-H-2 Van-der-Waals Complexes - A Theoretical-Study Ramirezsolis A, Castillo S
8257 - 8264	An Ab-Initio Cluster Model Study of the Magnetic Coupling in Knif3 Casanovas J, Illas F
8265 - 8270	A Configuration Bias Monte-Carlo Method for Ionic-Solutions Shelley JC, Patey GN
8271 - 8276	P, T-Dependence of Self-Diffusion in Liquid-Hydrogen Fluoride Karger N, Vardag T, Ludemann HD
8277 - 8283	A Molecular-Dynamics Study of Doubly-Charged Ar-N(2+) Clusters Goldberg A, Last I, George TF
8284 - 8292	Critical-Scaling Theory of Binary Excess-Enthalpies and Its Use to Determine Liquid-Liquid Equilibrium Phase Compositions Lim KH, Ferer M, Smith DH
8293 - 8300	The Spatial Evolution of Particles Diffusing in the Presence of Randomly Placed Traps Dunlap DH, Laviolette RA, Parris PE
8301 - 8306	The Primitive Model of Ionic Fluids Near Its Critical-Point in the Poisson-Boltzmann and Modified Poisson-Boltzmann Theories Bhuiyan LB, Outhwaite CW, Molero M, Gonzaleztovar E
8307 - 8314	Rotational Tunneling of Orientationally Coupled Methyl-Groups - Molecular-Field Approximation Versus Numerically Exact Solution Timann M, Voll G, Hausler W
8315 - 8320	Local-Structure of Microemulsion Ciach A, Poniewierski A
8321 - 8339	Monte-Carlo Simulation of the Structural-Properties of Concentrated Aqueous Alkali-Halide Solutions at 25-Degrees-C Using a Simple Civilized Model Llanorestrepo M, Chapman WG
8340 - 8346	Magnetic and Conductivity Studies of Poly(Vinylene Disulfide) Nguyen TP, Giffard M, Molinie P
8347 - 8358	Pressure Dependencies of Rotational, Translational, and Viscous Friction Coefficients in Water-D(2), Acetonitrile-D(3), Acetonitrile, Chloroform, and Benzene Wakai C, Nakahara M
8359 - 8366	Quantum and Classical Relaxation Rates from Classical Simulations Bader JS, Berne BJ
8367 - 8372	Role of the Interaction Range in the Shaping of Phase-Diagrams in Simple Fluids - The Hard-Sphere Yukawa Fluid as a Case-Study Lomba E, Almarza NG
8373 - 8376	Thermochemical Properties of Gaseous Pobr and Some H-P-O Species Hildenbrand DL, Lau KH
8377 - 8380	Thermochemistry of Gaseous Manganese Oxides and Hydroxides Hildenbrand DL, Lau KH
8381 - 8384	Monte-Carlo Simulation of the CaF2 Montani RA
8385 - 8391	Dielectric-Relaxation of Electrolyte-Solutions - Molecular-Dynamics and Theoretical Results for Ions in Simple Dipolar Solvents Chandra A, Patey GN
8392 - 8398	Structural Modifications in the Amino-Acid Lysine Induced by Soft-X-Ray Irradiation Bozack MJ, Zhou Y, Worley SD
8399 - 8407	Calculation of Shapes of Dipolar Domains in Insoluble Monolayers - Analysis of Shape Stability and Transitions Mayer MA, Vanderlick TK
8408 - 8417	Atom Scattering Studios of Liquid Structure and Dynamics - Collisions of Xe with a Model of Squalane Lipkin N, Gerber RB, Moiseyev N, Nathanson GM
8418 - 8424	Structure and Thermodynamics of Flexible Polymer Gels Geissler E, Horkay F, Hecht AM
8425 - 8431	Adsorption and Abstraction of Hydrogen on Polycrystalline Diamond Thorns BD, Russell JN, Pehrsson PE, Butler JE
8432 - 8436	Induced Infrared-Absorption of HD Physisorbed on NaCl Films - A 2nd Adsorption Site Dai DJ, Ewing GE
8437 - 8443	Electronic Distortion in keV Particle Bombardment Bhatia R, Garrison BJ
8444 - 8453	Segmental Dynamics and Relaxation of N-Octane at Solid-Liquid Interfaces Gupta S, Koopman DC, Westermannclark GB, Bitsanis IA
8454 - 8462	Poling Dynamics and Relaxation of Polar Order in Guest/Host Polymers by 2nd-Harmonic Generation Guan HW, Wang CH, Gu SH
8463 - 8470	Using Symmetry Forbidden Interactions to Create Small Band-Gap Polymers - Poly-Aminosquaraine and Related-Compounds Tol AJ
8471 - 8482	Surface-Reaction Kinetics of No on Rh(110) Schmatloch V, Jirka I, Kruse N
8483 - 8491	Synchronization and Spatiotemporal Self-Organization - In the No+co Reaction on Pt(100) .1. Unsynchronized Oscillations on the 1X1 Substrate Veser G, Imbihl R
8492 - 8500	Synchronization and Spatiotemporal Self-Organization in the No+co Reaction on Pt(1Oo) .2. Synchronized Oscillations on the Hex-Substrate Veser G, Imbihl R
8501 - 8505	Measurement of the Forces Between Gold Surfaces in Water by Atomic-Force Microscopy Biggs S, Mulvaney P
8506 - 8513	A Discrete-Continuum Hybrid Model for Vibrational-Energy Transfer at the Gas-Solid Interface .2. The Quantal Evolution of Coupled Localized-Collective Motions Vilallonga E, Rabitz H
8514 - 8521	Surface Recombination of Atoms in a Nitrogen Afterglow Markovic VL, Petrovic ZL, Pejovic MM
8522 - 8525	A Simplified Stochastic Description for the A+b-2 Surface-Reaction Including A-Diffusion Mai J, Kuzovkov VN, Vonniessen W
8526 - 8536	Evaporation of Small Fragments During the Scattering of Argon Clusters at Thermal Kinetic Energies from a Graphite Surface Vach H, Demartino A, Benslimane M, Chatelet M, Pradere F
8537 - 8539	Vibrational and Dielectric-Properties of C-60 from Density-Functional Perturbation-Theory Giannozzi P, Baroni S
8540 - 8541	The Existence of Nonlinear Resonances in Collective Modes of Linear Macromolecules Wozny CE, Sumpter BG, Noid DW
8542 - 8545	The Thermal-Stability and Fragmentation of C-60 Molecule Up to 2000 K on the Milliseconds Time-Scale Kolodney E, Tsipinyuk B, Budrevich A
8546 - 8549	The Identification of Inoh in the Gas-Phase and Determination of Its Geometric Structure Lakin NM, Brown JM, Beattie IR, Jones PJ
8550 - 8553	Identification of the Core-Hole Excited-States of N-2 - A Failure of the Equivalent Care Approximation Lee K, Kim DY, Ma CI, Hanson DM
8554 - 8555	On the 2 Reaction Pathways of Planar HCN Isomerization Ling S
8556 - 8556	Kinetic Isotope Effects for Hydrogen Diffusion in Bulk Nickel and on Nickel Surfaces (Vol 92, Pg 775, 1990) Rice BM, Garrett BC, Koszykowski ML, Foiles SM, Daw MS
8556 - 8556	A Site-Site Theory for Finite Concentration Saline Solutions (Vol 97, Pg 7656, 1992) Perkyns J, Pettitt BM
8557 - 8557	Energy-Resolved and Angle-Resolved Measurements of the Rh(F-4(9/2)) and Rh(F-4(7/2)) Populations from Ion-Bombarded Rh(100) (Vol 96, Pg 6314, 1992) Winograd N, Elmaazawi M, Maboudian R, Postawa Z, Bernardo DN, Garrison BJ
8557 - 8557	Angle-Resolved Velocity Distributions of Excited Rh Atoms Ejected from Ion-Bombarded Rh(100) (Vol 97, Pg 3846, 1992) Bernardo DN, Elmaazawi M, Maboudian R, Postawa Z, Winograd N, Garrison BJ