Journal of Chemical Physics

Journal of Chemical Physics, Vol.101, No.7 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (104 articles)

5423 - 5430	Analysis of Nuclear-Magnetic-Resonance Spin Echoes Using Simple Structure Factors Sen PN, Hurlimann MD
5431 - 5437	Reassignment of the Vibrational Structure of the Huggins Absorption-Band of Ozone Joens JA
5438 - 5440	On the Choice of Inertial Axes for Interpreting Spectroscopic Properties of Van-der-Waals Complexes Ernesti A, Hutson JM
5441 - 5453	Interaction of an Aluminum Atom with an Alkaline-Earth Atom - Spectroscopic and Ab-Initio Investigations of Alca Behm JM, Morse MD, Boldyrev AI, Simons J
5454 - 5463	Interaction of an Aluminum Atom with a Closed Subshell Metal Atom - Spectroscopic Analysis of Alzn Behm JM, Blume T, Morse MD
5464 - 5472	Field-Induced Intensity and Stark Shift Measurements of the Electric-Dipole Moment of ICI in the B-(3)Pi(0+) State Wang SX, Booth JL, Dalby FW, Ozier I
5473 - 5483	Extreme-Ultraviolet Photodissociation of N2O in Superexcited States Ukai M, Kameta K, Machida S, Kouchi N, Hatano Y, Tanaka K
5484 - 5493	Microwave-Spectrum and Molecular-Structure of the Cyclic C3H Radical Yamamoto S, Saito S
5494 - 5499	Infrared-Absorption of Cis-Cis Peroxynitrous Acid (Hoono) in Solid Argon Lo WJ, Lee YP
5500 - 5514	Fine Vibrational Structure in Core-to-Bound Spectra of Polyatomic-Molecules Demiranda MP, Beswick JA, Parent P, Laffon C, Tourillon G, Cassuto A, Nicolas G, Gadea FX
5515 - 5522	Vibronic Analysis of Overlapping Resonances and the 3rd-Harmonic-Generation Spectrum of Beta-Carotene Soos ZG, Mukhopadhyay D
5523 - 5528	Predissociation Supported High-Resolution Vacuum-Ultraviolet Absorption-Spectroscopy of Excited Electronic States of NH3 Li XH, Vidal CR
5529 - 5558	Theory of 2-Dimensional Fourier-Transform Electron-Spin-Resonance for Ordered and Viscous Fluids Lee SY, Budil DE, Freed JH
5559 - 5565	Separation of Quadratic and Linear External-Field Effects in High J Quantum Beats Auzinsh M, Ferber R, Stolyarov AV
5566 - 5577	Quantum Kinetic-Equations Incorporating the Fano Collision Operator - The Generalized Hess Method of Describing Line-Shapes Monchick L
5578 - 5584	Bound-State Wave-Functions from Coupled-Channel Calculations Using Log-Derivative Propagators - Application to Spectroscopic Intensities in Ar-HF Thornley AE, Hutson JM
5585 - 5595	Ab-Initio Calculations on Monohalogenophosphanes pH(2)X (X=f,Cl,Br,I), and Experimental Detection and Characterization of Ph2F and Ph2Cl by High-Resolution Infrared-Spectroscopy Beckers H, Burger H, Kuna R, Paplewski M, Thiel W
5596 - 5603	Nonresonant 2-Photon Pulsed-Field Ionization of Ch3S Formed in Photodissociation of Ch3Sh and Ch3Ssch3 Hsu CW, Ng CY
5604 - 5614	A Fitting Law for Rotational Transfer Rates - An Angular-Momentum Model with Predictive Power Osborne MA, Mccaffery AJ
5615 - 5622	On Superexchange Electron-Transfer Reactions Involving 3 Paraboloidal Potential Surfaces in a 2-Dimensional Reaction Coordinate Tang J, Norris JR
5623 - 5646	Time-Dependent Photodissociation of Methyl-Iodide with 5 Active-Modes Hammerich AD, Manthe U, Kosloff R, Meyer HD, Cederbaum LS
5647 - 5651	Collisional Relaxation of Translational Energy and Fine-Structure Levels of the O(P-3(J)) Atom Created in the Photodissociation of SO2 at 193 nm Abe M, Sato Y, Inagaki Y, Matsumi Y, Kawasaki M
5652 - 5664	Probing Dynamics in the Franck-Condon and Exit Channel Regions of Dissociating H2S - Emission-Spectra upon Tunable Excitation from 199-203 nm Browning PW, Jensen E, Waschewsky GC, Tate MR, Butler LJ, Hessler JP
5665 - 5671	Photodissociation of Methanol at 193.3 nm - Translational Energy-Release Spectra Wen Y, Segall J, Dulligan M, Wittig C
5672 - 5676	Velocity Dependence of Free-Ion Production in K(Np)-C2Cl4, Cs2, and O-2 Collisions - Internal-to-Translational Energy-Transfer Popple RA, Dionne MA, Smith KA, Dunning FB
5677 - 5682	Resonance Positions and Widths by Complex Scaling and Modified Stabilization Methods - Van-der-Waals Complex Neicl Ryaboy V, Moiseyev N, Mandelshtam VA, Taylor HS
5683 - 5699	Double-Resonance Infrared-Visible Photofragment Yield Spectroscopy of NO2 - Interferences Among Overlapping Quasi-Bound Levels Reid SA, Reisler H
5700 - 5707	V-E Energy-Transfer in Ethylene and Alkali Gas-Mixtures Using Infrared Multiphoton Excitation Li QX, Yu SQ, Chen CX, Ma XX
5708 - 5716	Time-Resolved Multiphoton Ionization Study of the 102 nm State of No Owrutsky JC, Baronavski AP
5717 - 5726	Temperature-Dependence of Ultrafast Intermolecular Electron-Transfer Faster Than Solvation Process Nagasawa Y, Yartsev AP, Tominaga K, Johnson AE, Yoshihara K
5727 - 5730	Investigation of the Collisional Quenching of CH(A(2)Delta and B-2-Sigma(-)) by Ar, O-2, Cs2, Alcohol, and Halomethane Molecules Chen CX, Sheng Y, Yu SQ, Ma XX
5731 - 5755	Solvation of Electronically Excited I-2(-) Maslen PE, Papanikolas JM, Faeder J, Parson R, Oneil SV
5756 - 5771	Quantum Scattering Calculations on the Ch4+oh-)Ch3+h2O Reaction Nyman G, Clary DC
5772 - 5780	Photodesorption Dynamics of Ba Atoms from Large Ar Clusters Schilling B, Gaveau MA, Sublemontier O, Mestdagh JM, Visticot JP, Biquard X, Berlande J
5781 - 5791	Quantum-Mechanical and Quasi-Classical Calculations for the H+d-2-)Hd+d Reaction - Reaction Probabilities and Differential Cross Sections Aoiz FJ, Banares L, Dmello MJ, Herrero VJ, Rabanos VS, Schnieder L, Wyatt RE
5792 - 5803	Photodissociation of CH2 - A Test-Case for the Light-Heavy-Light Approximation Kroes GJ
5804 - 5817	Rotational Energy-Transfer in Vibrationally Excited Acetylene(X)over-Tilde (1)Sigma(G)(V-2"=1,J") - Delta-J Propensities Dopheide R, Cronrath W, Zacharias H
5818 - 5823	Dynamics of the Reaction of O(P-3) Atoms with Acetylene Huang X, Xing G, Bersohn R
5824 - 5830	Anisotropic Rigid Rotor Potential-Energy Function for H2O-H-2 Phillips TR, Maluendes S, Mclean AD, Green S
5831 - 5840	Multiconfiguration Time-Dependent Hartree Studies of the CH3I/MgO Photodissociation Dynamics Fang JY, Guo H
5841 - 5846	Real-Space Renormalization for Heisenberg Models on 2-Dimensional Lattices Cheranovski VO, Schmalz TG, Klein DJ
5847 - 5852	Orthogonal Polynomials in Phase-Space and Classical Analogs to Quantum Eigenstates with an Application to the Transmission Flux for the Potential Step Torresvega G, Moralesguzman JD
5853 - 5859	An Accurate Quartic Force-Field and Vibrational Frequencies for Hno and Dno Dateo CE, Lee TJ, Schwenke DW
5860 - 5864	Valence-Bond Charge-Transfer Solvation Model for Nonlinear-Optical Properties of Organic-Molecules in Polar-Solvents Chen GH, Lu DQ, Goddard WA
5865 - 5874	Adsorption Energies of NH3 and Nh4+ in Zeolites Corrected for the Long-Range Electrostatic Potential of the Crystal Teunissen EH, Jansen AP, Vansanten RA, Orlando R, Dovesi R
5875 - 5890	Orthogonally Spin-Adapted State-Universal Coupled-Cluster Formalism - Implementation of the Complete 2-Reference Theory Including Cubic and Quartic Coupling Terms Piecuch P, Paldus J
5891 - 5899	Large-Scale Ab-Initio Calculations for C-3 Mladenovic M, Schmatz S, Botschwina P
5900 - 5909	A Complete Basis-Set Model Chemistry .4. An Improved Atomic Pair Natural Orbital Method Montgomery JA, Ochterski JW, Petersson GA
5910 - 5918	Floating Spherical Gaussian-Orbitals Based Quantum Monte-Carlo Method in Molecular Electronic Calculations Leu SY, Mou CY
5919 - 5924	Resonance Properties from Wave-Packet Propagation Isele A, Meier C, Engel V, Fahrer N, Schlier C
5925 - 5928	Ab-Initio Calculation of (Oh-E(+)) System with Consideration of Electron Correlation Effect Tachikawa M, Sainowo H, Iguchi K, Suzuki K
5929 - 5941	Ab-Initio Computation of Semiempirical Pi-Electron Methods .3. The Benzene Molecule, the Zero-Differential-Overlap Approximation, and the Transferability of Parameters Martin CH, Freed KF
5942 - 5956	An Ab-Initio Molecular-Orbital Study of the Unimolecular Dissociation Reactions of Dichloroethylene and Trichloroethylene Riehl JF, Musaev DG, Morokuma K
5957 - 5968	Evaluation of S-2 for Correlated Wave-Functions and Spin Projection of Unrestricted Moller-Plesset Perturbation-Theory Chen W, Schlegel HB
5969 - 5976	Compact Valence-Bond Functions with Breathing Orbitals - Application to the Bond-Dissociation Energies of F2 and Fh Hiberty PC, Humbel S, Byrman CP, Vanlenthe JH
5977 - 5986	Excess-Electron Alkali-Halide Clusters Kn+1Cln and Lin+1Fn - A Theoretical-Study Ochsenfeld C, Ahlrichs R
5987 - 6004	A Linear Algebraic-Method for Exact Computation of the Coefficients of the 1/D Expansion of the Schrodinger-Equation Dunn M, Germann TC, Goodson DZ, Traynor CA, Morgan JD, Watson DK, Herschbach DR
6005 - 6012	Binary Hard-Sphere, Herd Ellipsoid Liquid-Crystal Mixtures Samborski A, Evans GT
6013 - 6023	The Effect of Solvation on the Conformation of Freely Jointed Repulsive Trimers Grayce CJ, Depablo JJ
6024 - 6031	Electron-Affinity of Clusters and Liquids of Polar-Molecules - Theory of Many-Body Polarization Interactions Stampfli P
6032 - 6037	A New Formulation of Quantum Transition-State Theory for Adiabatic Rate Constants Hansen NF, Andersen HC
6038 - 6051	Using the Noninteracting Cluster Theory to Predict the Properties of Real Vapor Saltz D
6052 - 6062	Free-Energy Landscape for Protein-Folding Kinetics - Intermediates, Traps, and Multiple Pathways in Theory and Lattice Model Simulations Abkevich VI, Gutin AM, Shakhnovich EI
6063 - 6075	Dynamics and Relaxation of an Intermediate Size Water Cluster (H2O)(108) Saito SJ, Ohmine I
6076 - 6079	Thermochemistry of Gaseous SiO(Oh), SiO(Oh)(2), and SiO2 Hildenbrand DL, Lau KH
6080 - 6090	Comments on the Numerical Simulations of Electrolytes in Periodic Boundary-Conditions Caillol JM
6091 - 6095	Finite-Size Effects in the Simulation of Crystallization Visscher PB
6096 - 6100	Growth of Hexagonal String Phases in Sheared Colloid Simulation Visscher PB, Heyes DM
6101 - 6110	Kinetic Transitions in Diffusion-Reaction Space Kozak JJ, Davidson R
6111 - 6115	The Power-Law Aspect of Solvation Dynamics, Based on the Convolutionless Generalized Langevin Equation Raineri FO, Friedman HL
6116 - 6125	The Effect of Apolar Solutes on Water-Structure - Alcohols and Tetraalkylammonium Ions Turner J, Soper AK
6126 - 6140	Studies on Free-Energy Calculations .2. A Theoretical Approach to Molecular Solvation Resat H, Mezei M
6141 - 6156	Dynamical Fluctuating Charge Force-Fields - Application to Liquid Water Rick SW, Stuart SJ, Berne BJ
6157 - 6167	The Formulation of Quantum-Statistical Mechanics Based on the Feynman Path Centroid Density .3. Phase-Space Formalism and Analysis of Centroid Molecular-Dynamics Cao JS, Voth GA
6168 - 6183	The Formulation of Quantum-Statistical Mechanics Based on the Feynman Path Centroid Density .4. Algorithms for Centroid Molecular-Dynamics Cao JS, Voth GA
6184 - 6192	The Formulation of Quantum-Statistical Mechanics Based on the Feynman Path Centroid Density .5. Quantum Instantaneous Normal-Mode Theory of Liquids Cao JS, Voth GA
6193 - 6205	The Effect of Shear-Flow on Critical Correlations in Colloidal Systems - Microstructure, Turbidity, and Dichroism Dhont JK, Verduin H
6206 - 6209	Effect of 3-Body Forces on the Sheer Viscosity of Liquid Argon Lee SH, Cummings PT
6210 - 6215	Neutron-Diffraction Studies of H2O/D2O at Supercritical Temperatures - A Direct Determination of G(Hh)(R) G(Oh)(R), and G(Oo)(R) Tromp RH, Postorino P, Neilson GW, Ricci MA, Soper AK
6216 - 6221	Variable-Structure Cell Theory of Liquids and Glasses Somer FL, Kovac J
6222 - 6225	Femtosecond Studies of Interparticle Electron-Transfer in a Coupled CdS-TiO2 Colloidal System Evans JE, Springer KW, Zhang JZ
6226 - 6232	Energy-Resolved Angular-Distributions and the Population Partition of Excited-State Rh Atoms Ejected from Ion-Bombarded Rh-(001) He C, Postawa Z, Elmaazawi M, Rosencrance S, Garrison BJ, Winograd N
6233 - 6241	A 2nd-Harmonic Generation Analog of Optical-Rotatory Dispersion for the Study of Chiral Monolayers Byers JD, Yee HI, Hicks JM
6242 - 6254	Local Chain Dynamics of Bulk Amorphous Polybutadienes - A Molecular-Dynamics Study Kim EG, Mattice WL
6255 - 6263	Pattern-Formation During the Co Oxidation on Pt(110) Surfaces Under Global Coupling Falcke M, Engel H
6264 - 6270	Observation and Characterization of Direct Inelastic and Trapping-Desorption Channels in the Scattering of N-2 from Cu(110) Siders JL, Sitz GO
6271 - 6280	Structure and Properties of the Metal-Liquid Interface Berard DR, Kinoshita M, Ye X, Patey GN
6281 - 6288	A Theoretical-Study of the Vibrational-Excitation of No/Ag(111) Gates GA, Darling GR, Holloway S
6289 - 6300	Quantitative-Determination of the Activity of Defect Sites on a Single-Crystalline Surface - C-H Bond Activation of C-13 Labeled Ethane on Ir(111) Johnson DF, Weinberg WH
6301 - 6317	Anisotropic Rayleigh-Scattering Investigations in Smectic a Liquid-Crystal Phases Mondainmonval O, Coles HJ, Claverie T, Lalanne JR, Marcerou JP, Philip J
6318 - 6329	Multidimensional Dynamics in the Electron-Stimulated Desorption of Ammonia from Pt(111) Burns AR, Stechel EB, Jennison DR, Li YS
6330 - 6337	Orientation Motion in Glassy-Polymers Patashinski AZ, Ratner MA
6338 - 6343	Interaction of Ammonia Molecules with the MgO(100) Surface - Application to the Measure of the Effective Ionic Surface-Charge Sidoumou M, Panella V, Suzanne J
6344 - 6352	Electronic-Transitions in Alpha-Oligothiophene Thin-Films - Comparison of Ultraviolet-Visible Absorption-Spectroscopy and High-Resolution Electron-Energy-Loss Spectroscopy Investigations Oeter D, Egelhaaf HJ, Ziegler C, Oelkrug D, Gopel W
6353 - 6355	Calculation of Expectation Values of Molecular-Systems Using Diffusion Monte-Carlo in Conjunction with the Finite-Field Method Sandler P, Buch V, Clary DC
6356 - 6358	Photodissociation Dynamics in Quantum State-Selected Clusters - A Test of the One-Atom Cage Effect in Ar-H2O Plusquellic DF, Votava O, Nesbitt DJ
6359 - 6361	HF Vibrational Redshift for the Icosahedral Ar12Hf Van-der-Waals Cluster Is the Same as in an Ar Matrix - Quantum 5-Dimensional Bound-State Calculations Liu SY, Bacic Z, Moskowitz JW, Schmidt KE
6362 - 6364	Dipole Polarizability and Bond-Dissociation Energy Hohm U
6365 - 6366	Frequency-Shifts in Infrared-Spectra of Ethylene Clusters Buck U, Schmidt B
6367 - 6368	Viscosity of Gaseous He-3 and He-4 at Low-Temperatures Nacher PJ
6369 - 6370	Comment on the Electron-Density and Chemical Bonding - A Reinvestigation of Berlin Theorem (J Chem Phys 94, 2977 (1991)) Hinze J
6371 - 6371	Path-Integral Description of Polymers Using Fractional Brownian Walks (Vol 99, Pg 9230, 1993) Cherayil BJ, Biswas P
6371 - 6371	Radial Dimensions of Starburst Polymers (Vol 100, Pg 3201, 1994) Biswas P, Cherayil BJ
6371 - 6371	Chain Dimensions Near the Critical-Point (Vol 100, Pg 4665, 1994) Biswas P, Cherayil BJ