Journal of Chemical Physics

Journal of Chemical Physics, Vol.100, No.9 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (99 articles)

6113 - 6121	Spectroscopic Detection and Characterization of the Fs2 Free-Radical Zhuo Q, Karolczak J, Clouthier DJ
6122 - 6124	2-Color Study of Autler-Townes Doublet Splitting and AC Stark Shift in Multiphoton Ionization Spectra of Co Xu S, Sha GH, Jiang B, Sun WZ, Chen XL, Zhang CH
6125 - 6128	Measurements of the Microwave-Spectrum and Structural Parameters for Benzene Chromium Tricarbonyl Kukolich SG, Sickafoose SM, Flores LD, Breckenridge SM
6129 - 6136	Multiphoton Studies of Jet-Cooled Xe-2 Near the Xe-Asterisk-5D(5/2)(0)(3) State - Characterization of the Ground and Excited-State Potential Curves Green DS, Wallace SC
6137 - 6140	Broad-Band Axialization in an Ion-Cyclotron Resonance Ion-Trap Guan SH, Wahl MC, Marshall AG
6141 - 6152	First Observation and Electronic-Structure of the Diatomic Platinum Nitride Molecule Friedmanhill EJ, Field RW
6153 - 6159	Laser-Induced Fluorescence Spectroscopy of the B’ 1(U)-X 0(G)(+) Transition of Xe-2 - Determination of the B’ State Potential and Evidence for a Barrier to Dissociation Pibel CD, Yamanouchi K, Tsuchiya S
6160 - 6165	Real-Time Probing of 2-Photon Absorption with Phase Related Pulses Kawashima H, Nelson KA
6166 - 6174	Diode-Laser Spectroscopy and Coupled Analysis of the Nu(2) and Nu(4) Fundamental Bands of Sih3+ Davies PB, Smith DM
6175 - 6194	Efficient Calculation of Highly Excited Vibrational-Energy Levels of Floppy Molecules - The Band Origins of H-3(+) Up to 35000 cm(-1) Bramley MJ, Tromp JW, Carrington T, Corey GC
6195 - 6202	Polydiacetylene Chains Diluted in Their Single-Crystal Monomer Matrix Spagnoli S, Berrehar J, Lapersonnemeyer C, Schott M
6203 - 6209	Phenomenological Microscopic Treatment of Optical-Activity in Molecular-Crystals Munn RW
6210 - 6220	The Molecular Stark-Effect in Regions of High State Density - Overall Simplicity and Underlying Complexity in the Response to a Static Electric-Field Fraser GT, Pate BH
6221 - 6227	Rotational Analysis of the Sid2 (A)over-Tildeb-1(1)-(X)over-Tilde(1)A(1) Transition Observed in a Jet Fukushima M, Obi K
6228 - 6239	Calculation of Vibrational Fundamental and Overtone Band Intensities of H2O Kjaergaard HG, Henry BR, Wei H, Lefebvre S, Carrington T, Mortensen OS, Sage ML
6240 - 6262	Hyperfine-Structure in High-Spin Multiplicity Electronic States - Analysis of the B(4)Pi-X(4)Sigma(-) Transition of Gaseous NbO Adam AG, Azuma Y, Barry JA, Merer AJ, Sassenberg U, Schroder JO, Cheval G, Femenias JL
6263 - 6266	Near-Infrared 3-Nu-2 Overtone Band of H-3(+) Ventrudo BF, Cassidy DT, Guo ZY, Joo SW, Lee SS, Oka T
6267 - 6274	Spectral-Lines and Distribution of H-3(+) in High Rotational Levels Uy D, Gabrys CM, Jagod MF, Oka T
6275 - 6289	Collisional Effects in Q-Branch Coherent Anti-Stokes-Raman Spectra of N-2 and O-2 at High-Pressure and High-Temperature Dreier T, Schiff G, Suvernev AA
6290 - 6299	Perylene Rare-Gas Heteroclusters .1. Electronic Spectroscopy Bahatt D, Heidenreich A, Benhorin N, Even U, Jortner J
6300 - 6311	Perylene Rare-Gas Heteroclusters .2. Nuclear-Dynamics and Spectral-Line Shapes Heidenreich A, Bahatt D, Benhorin N, Even U, Jortner J
6312 - 6317	On the Assignment of Jahn-Teller Effects in the Ultraviolet-Absorption Spectrum of Ag-3 Wedum EE, Grant ER, Cheng PY, Willey KF, Duncan MA
6318 - 6330	Molecular-Dynamics Simulations of the Depolarized Light-Scattering Spectra of Liquid OCS in Comparison with Experiment and Simulations of CO2 and Cs2 Stassen H, Dorfmuller T, Ladanyi BM
6331 - 6346	Frequency-Modulation Enhanced Magnetic Rotation Spectroscopy - A Sensitive and Selective Absorption Scheme for Paramagnetic Molecules Mccarthy MC, Bloch JC, Field RW
6347 - 6358	Frequency-Modulation Enhanced Magnetic Rotation Spectroscopy of Pdh, Pdd, NIH, and Cuh Mccarthy MC, Field RW
6359 - 6367	Kinetics and Dynamics of Vibrationally State-Resolved Ion-Molecule Reactions - N-14(2)+ (V=1 and 2) and N-15(2)+(V=0, 1, and 2) with N-14(2) Frost MJ, Kato S, Bierbaum VM, Leone SR
6368 - 6371	Multiple Time-Scale Simulation of a Flexible Model of CO2 Tuckerman ME, Langel W
6372 - 6385	Collisional Alignment of CO2 Rotational Angular-Momentum States in a Supersonic Expansion Weida MJ, Nesbitt DJ
6386 - 6394	Impact of Global Interactions on Patterns in a Simple System Middya U, Luss D
6395 - 6411	Molecular-Transition State, Resonances, and Periodic-Orbit Theory Burghardt I, Gaspard P
6412 - 6421	The Detection of Fast Neutral Fragments Following the Photodissociation of Krypton Cluster Ions Smith JA, Winkel JF, Jones AB, Stace AJ, Whitaker BJ
6422 - 6428	Kinetic-Energy Release in the Dissociation of No2+ Masuoka T
6429 - 6433	Photodissociation of Acetyl-Chloride - Cl and CH, Quantum Yields and Energy-Distributions Deshmukh S, Hess WP
6434 - 6444	Multiphoton Dissociative Ionization of O-2 - Competition Between Dissociation and Ionization in Excited-States Yang S, Hill WT, Dixit SN
6445 - 6457	Semiclassical Treatment of Tunneling Effects in Hono Cis-Trans Isomerization Qin Y, Thompson DL
6458 - 6463	Low-Energy Cluster Ion-Atom Collision - Collisional Energy-Transfer and Complex-Formation of Ar-N(+) with Ar-36 Ichihashi M, Nonose S, Nagata T, Kondow T
6464 - 6471	Calculation of Low-Energy Elastic Cross-Sections for Electron-CF4 Scattering Gianturco FA, Lucchese RR, Sanna N
6472 - 6486	Competitive Internal Transfers in Metastable Decay of Cluster Ions Buonomo E, Gianturco FA, Delgadobarrio G, Miretartes S, Villarreal P
6487 - 6491	Infrared Multiphoton Dissociation of 2-Chloro-1,1,1,2-Tetrafluoroethane in a Molecular-Beam Yokoyama A, Yokoyama K, Fujisawa G
6492 - 6499	Nonadiabatic Chemical-Reactions in a Strong Time-Dependent Electric-Field - An Electron-Transfer Reaction in a Polar-Solvent Dakhnovskii Y
6500 - 6507	Scattering of Ne from the Liquid-Vapor Interface of Glycerol - A Molecular-Dynamics Study Benjamin I, Wilson M, Pohorille A
6508 - 6513	Electron Propagator Theory of Znch3, Zn(CH3)(2), and Related Ions Zakrzewski VG, Ortiz JV
6514 - 6519	The Potential-Energy Curves of the X(2)Pi(G), A(4)Pi(U), A(2)Pi(U), B(4)Sigma(-)(G), B(2)Sigma(-)(G), (2)Pi(U), and C(4)Sigma(-)(U) States of O-2(+) Obtained Using the Multiconfigurational Spin Tensor Electron Propagator Method Yeager DL, Nichols JA, Golab JT
6520 - 6534	Automatic Numerical-Integration Techniques for Polyatomic-Molecules Perezjorda JM, Becke AD, Sanfabian E
6535 - 6542	Explicit Nondivergent Formulas for Atomic and Molecular Dynamic Hyperpolarizabilities Bishop DM
6543 - 6549	Theoretical-Analysis of the Charge-Storage States in Diphenylpolyenes with One to 7 Double-Bonds Logdlund M, Bredas JL
6550 - 6561	A Systematic Comparison of Molecular-Properties Obtained Using Hartree-Fock, a Hybrid Hartree-Fock Density-Functional-Theory, and Coupled-Cluster Methods Oliphant N, Bartlett RJ
6562 - 6569	O(N-3) Scaling of 2-Electron Integrals During Molecular-Geometry Optimization Ionova IV, Carter EA
6570 - 6577	Variational Solutions for the Thermal and Real-Time Propagator Using the Mclachlan Variational Principle Messina M, Garrett BC, Schenter GK
6578 - 6590	Chemisorption of Sulfur on Nickel - A Study of Cluster Convergence in the Linear Combination of Gaussian-Type Orbitals Local-Density Functional-Approach Ackermann L, Rosch N
6591 - 6596	Spin-Orbit Coupled Excited-States in Transition-Metal Complexes - A Configuration-Interaction Treatment of Hco(Co)(4) Ribbing C, Daniel C
6597 - 6607	A Multiconfiguration Self-Consistent Reaction Field Response Method Mikkelsen KV, Jorgensen P, Jensen HJ
6608 - 6613	Calculation of Nuclear Magnetic Shieldings .15. Electron Correlation-Effects Fukui H, Baba T, Matsuda H, Miura K
6614 - 6619	Electron-Binding Energies of Linear C-3, C-5, C-7, and C-9 Clusters Ortiz JV, Zakrzewski VG
6620 - 6627	Basis-Set Convergence of Atomic Axial Tensors Obtained from Self-Consistent-Field Calculations Using London Atomic Orbitals Bak KL, Jorgensen P, Helgaker T, Ruud K, Jensen HJ
6628 - 6632	Calculation of the Electric-Field Gradients, Generalized Sternheimer Shielding Constants, and Electric-Field-Gradient Polarizabilities for 10 Small Molecules Bishop DM, Cybulski SM
6633 - 6639	A New Equation of State for Hard Chain Molecules Ghonasgi D, Chapman WG
6640 - 6645	Study of the Van der Zwan-Hynes Model for Dipole Isomerization Reaction-Rates from the Viewpoint of Critical Phenomena Singh S, Robinson GW
6646 - 6648	Dielectric-Relaxation Derived from Collective Molecular-Reorientation of 9-Hydroxyphenalenone in the Solid Sate Mochida T, Izuoka A, Sugawara T, Moritomo Y, Tokura Y
6649 - 6657	The Mutual Diffusion-Coefficient for the Van-der-Waals Binary-Mixtures of Type-II, Type-III, Type-IV, and Type-V Castillo R, Garza C, Dominguez H
6658 - 6664	Molecular Theory of Nonpolar Solvation Dynamics Bagchi B
6665 - 6671	An Analytical Analysis of the Square-Well Fluid Behaviors Tang YP, Lu BC
6672 - 6683	Instantaneous Normal-Mode Analysis of Liquid Water Cho M, Fleming GR, Saito S, Ohmine I, Stratt RM
6684 - 6691	On the Reproducibility of Glasses Speedy RJ
6692 - 6699	Can the Density Maximum of Water Be Found by Computer-Simulation Billeter SR, King PM, Vangunsteren WF
6700 - 6708	The Short-Time Dynamics of Solvation Stratt RM, Cho MH
6709 - 6717	Normal-Mode Analysis of Liquid Cs2 - Velocity Correlation-Functions and Self-Diffusion Constants Moore P, Keyes T
6718 - 6726	Effect of Solvation on the Shapes, Sizes, and Anisotropies of Polyatomic Anions via Molecular Electrostatic Potential Topography - An Ab-Initio Self-Consistent Reaction Field Approach Luque FJ, Orozco M, Bhadane PK, Gadre SR
6727 - 6737	Isotropic-Nematic Transition of Hard Polar and Nonpolar Molecules Vega C, Lago S
6738 - 6749	Charged Rodlike Colloidal Suspensions - An Ab-Initio Approach Lowen H
6750 - 6764	Infrared-Spectroscopy of Model Electrochemical Interfaces in Ultrahigh-Vacuum - The Archetypical Case of Carbon-Monoxide Water Coadsorption on Pt(111) Kizhakevariam N, Jiang XD, Weaver MJ
6765 - 6771	Reactions of Low Work Function Metals Na, Al, and Ca on Alpha,Omega-Diphenyltetradecaheptaene - Implications for Metal/Polymer Interfaces Dannetun P, Logdlund M, Fredriksson C, Lazzaroni R, Fauquet C, Stafstrom S, Spangler CW, Bredas JL, Salaneck WR
6772 - 6777	Surface-Diffusion of in on Ge(111) Studied by Optical 2nd-Harmonic Microscopy Suni II, Seebauer EG
6778 - 6782	Collective Properties of Adsorption-Desorption Processes Krapivsky PL, Bennaim E
6783 - 6790	A Lattice-Dynamics Model of Lipid Bilayer Systems Vandersijs DA, Levine YK
6791 - 6812	Scattering State-Selected No+ on GaAs(110) - The Effect of Translational and Vibrational-Energy on No- and O- Product Formation Martin JS, Greeley JN, Morris JR, Feranchak BT, Jacobs DC
6813 - 6817	Harmonic Corrections to the Mean-Field Phase-Diagram for Block-Copolymers Hamley IW, Bates FS
6818 - 6825	Theoretical and Experimental Studies of the Molecular 2nd-Order Nonlinear-Optical Responses of Heteroaromatic-Compounds Wong KY, Jen AK, Rao VP, Drost KJ
6826 - 6836	Charge Separation and Covalent Bonding in Metal-Oxide Surfaces - A Local-Density Functional-Study on the MgO(001) Surface Birkenheuer U, Boettger JC, Rosch N
6837 - 6845	Thermal-Dissociation of No on Pd Surfaces - The Influence of Step Sites Ramsier RD, Gao Q, Waltenburg HN, Yates JT
6846 - 6856	Solvation Potentials for Macromolecules Grayce CJ, Schweizer KS
6857 - 6872	Liquid-State Theory of the Density-Dependent Conformation of Nonpolar Linear-Polymers Grayce CJ, Yethiraj A, Schweizer KS
6873 - 6887	Colloids Dispersed in Polymer-Solutions - A Computer-Simulation Study Meijer EJ, Frenkel D
6888 - 6895	Study of Sol-State Properties of Aqueous Gelatin Solutions Bohidar HB, Jena SS
6896 - 6906	Transient Vibrational-Mode Renormalization in Dipole-Coupled Adsorbates at Surfaces Kuhnke K, Harris AL, Chabal YJ, Jakob P, Morin M
6907 - 6914	Field-Ion Microscopic Studies of the Co Oxidation on Platinum - Field-Ion Imaging and Titration Reactions Gorodetskii V, Drachsel W, Block JH
6915 - 6922	Field-Ion Microscopic Studies of the Co Oxidation on Platinum - Bistability and Oscillations Gorodetskii V, Drachsel W, Ehsasi M, Block JH
6923 - 6933	Nuclear-Quadrupole Interaction of Highly Polarized Gas-Phase Xe-131 with a Glass-Surface Butscher R, Wackerle G, Mehring M
6934 - 6943	Micelle Formation, Relaxation-Time, and 3-Phase Coexistence in a Microemulsion Model Stauffer D, Jan N, He Y, Pandey RB, Marangoni DG, Smithpalmer T
6944 - 6952	The Properties of Electrons in Sodalite Saturated with Alkali Atoms Monnier A, Srdanov V, Stucky G, Metiu H
6953 - 6960	Theoretical-Study of the Effect of Substituent and Backbone Conformation on the Electronic-Properties of Symmetrically Substituted Poly(di-N-Alkylsilanes) Crespo R, Piqueras MC, Tomas F
6961 - 6968	Interaction of Water with Metal-Surfaces Zhu SB, Philpott MR
6969 - 6973	Intermolecular Energy-Band Dispersion in Oriented Thin-Films of bis(1,2,5-Thiadiazolo)-P-Quinobis(1,3-Dithiole) by Angle-Resolved Photoemission Hasegawa S, Mori T, Imaeda K, Tanaka S, Yamashita Y, Inokuchi H, Fujimoto H, Seki K, Ueno N
6974 - 6976	Experimental-Evidence for an Isomeric Transition of Size-Selected Methanol Hexamers Buck U, Ettischer I
6977 - 6978	Experimental-Study on 3 Chemical Oscillators Coupled with Time-Delay Nishiyama N, Eto K
6979 - 6980	Divalent Manganese in 2 Different Tetragonal Sites of Cs2Nalacl6 Quintanar C, Gleason RJ, Boldu JL, Munoz E
6981 - 6982	Temperature-Enhanced Electron Detachment from C6F6- Negative-Ions Chen EC, Chen ES, Wentworth WE
6983 - 6983	Temperature-Enhanced Electron Detachment from C6F6- Negative-Ions - Reply Christophorou LG, Datskos PG, Carter JG
6984 - 6984	Dynamic Density-Functional Theory for Microphase Separation Kinetics of Block-Copolymer Melts (Vol 99, Pg 9202, 1993) Fraaije JG