Journal of Chemical Physics, 2000, V 18, N 2, 8 Jan.

TE Femtosecond photoelectron spectroscopy of I{_2}{^-}(CO{_2}){_n}
   clusters (n = 4, 6, 9, 12, 14, 16)
AU B.Jefferys Greenblatt, Martin T.Zanni, and Daniel M.Neumark

TE Photofragmentation of ammonia at 193.3 nm: Bimodal rotational
   distributions and vibrational excitation of NH{_2}(A{^~})
AU Richard A.Loomis, Jonathan P.Reid, and Stephen R.Leone

TE The electronic structure of PdC{_2}H and PDC{_2}HN deermined by
   anion photoelectron spectroscopy
AU Vicki D.Moravec and Caroline C.Jarrold

TE The point charge model of nuclear quadrupoles: How and why does
   it work
AU Vladimir Kello and Andrzej J.Sadlej

TE Intermolecular potential energy surfaces and bound states in F-HF
AU Markus Meuwly and Jeremy M.Hutson

TE Potential energy surfaces for the CN(X {^2}{SIGMA}{^+}, A
   {^2}{PI} Ar system and inelastic scattering within the A state
AU Millard H.Alexander, Xin Yang, Paul J.Dagdigian,
   Andreas Berning, and Hans-Joachim Werner

TE The strong field photoelectron spectroscopy of acetylene:
   Evidence for short-lived 4p gerade states via electric
   field-induced REMPI
AU Noel P.Moore and Robert J.Levis

TE The density matrix of H{_2}O - N{_2} in the coordinate
   representation: A Monte Carlo calculation of the far-wing line
AU Q.Ma and R.H.Tipping

TE Formation mechanism for polycyclic aromatic hydroarbons in
   methane flames
AU K.Siegmann and K.Sattler

TE The gas-phase structure of chloroferrocene from microwave spectra
AU Brian J.Drouin, Jennifer J.Dannemiller, and Stephen G.Kukolich

TE Band oscillator strengths of the intersystem transitions of CO
AU F.Rostas, M.Eidelsberg, A.Jolly, J.L.Lemaire, A.Le Floch,
   and J.Rostas

TE Photo- vs. pulsed field-ionization of individual high n (n {^<}
   57) Rydberg states: Resolved d,g series of benzene
AU Klaus Siglow and Hans Jurgen Neusser

TE The interaction of gold clusters with methanol molecules:
   Infrared photodissociation of masselected
AU G.Dietrich, S.Kruckeberg, K.Lutzenkirchen, L.Schweikhard,
   and C.Walther

TE Cluster isolated chemical reaction (CICR) spectroscopy: Ba atoms
   and Ba(CH{_4}){_n} complexes on large neon clusters
AU M.Briant, M.A.Gaveau, J.M.Mestdagh, and J.P.Visticot

TE Detection of O({^1}D) produced in the photodissoiation of O{_2}
   (I): Identification of the {^3}{SIGMA}{_u}{^-} and
   {^3}{PI}{_u}{^-} Rydberg states in 113-130 nm
AU P.C.Lee and J.B.Nee

TE Dynamics and energy release in benzene/Ar cluster dissociation
AU V.Bernshtein and I.Oref

TE State to state rotational excitation of CO by H{_2} near 1000
   cm{^-1} collision energy
AU Stiliana Antonova, Antonis P.Tsakotellis, Ao Lin,
   and George C.McBane

TE Chemiluminescent reactions of excited calcium atoms with HCl and
   HBr: Selective chargeransfer "harpooning" and synchronized
   interediate complex rearrangement
AU Miguel De Castro, Roberto Candori, Fernando Pirani,
   Vincenzo Aquilanti, Macarena Garay, and Angel Gonzalez Urena

TE Proton transfer in 7-hydroxyquinoline{^.} (NH{_3}){_n} solvent
AU Andreas Bach and Samuel Leutwyler

TE Cl+HD({nu}=1;J=1,2) reaction dynamics: Comparison between theory
   and experiment
AU S.A.Kandel, A.J.Alexander, Z.H.Kim, R.N.Zare, F.J.Aoiz,
   L.Banares, J.F.Castillo, and V.Saez Rabanos

TE The semirigid vibrating rotor target model for atom-polyatom
   reaction: Application to H + H{_2}O --> H{_2} + OH
AU Dong H.Zhang and J.Z.H.Zhang

TE The microwave spectra and structures of Ar-AgX (X=F,Cl,Br)
AU Corey J.Evans and Michael C.L.Gerry

TE Multi-configuration linear response approach to the calculation
   of parity violating potentials in polyatomic molecules
AU Robert Berger and Martin Quack

TE Emission by collisional D{_2} - He pairs at temeratures from 2
   to 20 kK
AU Dominik Hammer and Lothar Frommhold

TE A new hybrid approach for modeling reactions in molecular
   clusters: Application for the hydrogen bonded systems
AU Alexander V.Nemukhin, Bella L.Grigorenko,
   Ekaterina Ya.Skasyrskaya, Igor A.Topol and Stanley K.Burt

TE S{_1}-S{_2} vibronic coupling in trans-1,3,5-hexatriene. II.
   Theoretical investigation of absorption and resonance Raman
AU Clemens Woywod, William C.Livingood, and John H.Frederick

TE S{_1}-S{_2} vibronic coupling in trans-1,3,5-hexatriene. I.
   Electronic structure calculations
AU Clemens Woywod, William C.Livingood, and John H.Frederick

TE Anharmonicity contributions to the vibrational second
   hyperpolarizability of conjugated oligoers
AU Benoit Champagne, Josep M.Luis, Miquel Duran, Jose Luis Andres,
   and Bernard Kirtman

TE The bonding of CO to metal surfaces
AU A.Fohlisch, M.Nyberg, P.Bennich, L.Triguero, J.Hasselstrom,
   O.Karis, L.G.M.Pettersson, and A.Nilsson

TE Quantum Monte Carlo investigation of small {^4}He clusters with
   a {^3}He impurity
AU Dario Bressanini, Matteo Zavaglia, Matteo Zavaglia,
   and Gabriele Morosi

TE Gaussian-3 theory using scaled energies
AU Larry A.Curtiss, Krishnan Raghavachari, Paul C.Redfern,
   and John A.Pople

TE An investigation of density functionals: The first-row
   transition metal dimer calculations
AU Susumu Yanigisawa, Takao Tsuneda, and Kimihiko Hirao

TE Molecular calculations of the excitation energies and
   (hyper)polarizabilities with a statistical average of orbitral
   model exchange-correlation potentials
AU P.R.T.Schipper, O.V.Gritsenko, S.J.A.van Gisbergen,
   and E.J.Baerends

TE Semiclassical maps: A study of classically forbidden
   transitions, sub-h structure, and dynamical localization
AU N.T.Maitra

TE The interaction of gold clusters with methanol molecules: Ab
   initio molecular dynamics of Au{_n}{^+}CH{_3}OH and
AU Roger Rousseau and Dominik Marx

TE Ab initio investigations on the HOSO{_2} + O{_2} --> SO{_3} +
   HO{_2} reaction
AU D.Majumdar, G.-S.Kim, J.Kim, K.S.Oh, J.Y.Lee, W.Y.Choi,
   S.-H.Lee, M.-H.Kang, B.J.Mhin, and K.S.Kim

TE Lattice model of living polymerization. 2. Interlay between
   polymerization and phase stability
AU Jacek Dudowicz, Karl F.Freed, and Jack F.Douglas

TE Monte Carlo simulation of a grafted polymer chain confined in a
AU P.Sotta, A.Lesne, and J.M.Victor

TE Mapping of simulated localised fluctuations onto a macrosystem:
   Direct counting in the macrosystem to confirm statistical
   mechanical theory
AU Richard K.Bowles

TE Three-dimensional picture of dynamical structure in liquid water
AU Igor M.Svishchev and Alexander Yu.Zassetsky

TE Correlation effects in molecular diffusion in zeolites at
   infinite dilution
AU Fabien Jousse, Scott M.Auerbach, and Daniel P.Vercauteren

TE Nonequilibrium molecular dynamics simulation of transport and
   separation of gases in carbon nanoores. II. Binary and ternary
   mixtures and comarison with the experimental data
AU Lifang Xu, Mehran G.Sedigh, Theodore T.Tsotsis,
   and Muhammad Sahimi

TE Influences of concerted cluster diffusion on single file
   diffusion of CF{_4} in AlPO{_4}-5 and Xe in AlPO{_4}-31
AU David S.Sholl and Cha Kun Lee

TE Resonance Raman study of the solvatochromic elecronic
   transitions of [Ru(NH{_3}){_4}bipyridine]{^2+} in methanol and
AU John Streiff and Jeanne L.McHale

TE Topology vs. temperature: Thermal behavior of H{^+}(H{_2}O){_8}
   and H{^+}(H{_2}O){_16}
AU Sherwin J.Singer, Shannon McDonald, and Lars Ojamae

TE Comment on: Molecular dynamic simulations in the grand canonical
   ensemble: Formulation of a bias potential for umbrella sampling
   [J. Chem. Phys. 110(17), 8295 (1999)]
AU Mihaly Mezei

TE A self-consistent integral equation study of the structure and
   thermodynamics of the penetrable sphere fluid
AU Maria-Jose Fernaud, Enrique Lomba, and Lloyd L.Lee

TE Quasi-elastic Raman scattering and free volume in isotropic
   pressure-densified atactic poly (methyl methacrylate) glasses
AU M.Schmidt, A.Brodin, P.Jacobsson, and F.H.J.Maurer

TE Constant pressure path integral molecular dynamics studies of
   quantum effects in the liquid state proerties of n-alkanes
AU E.Balog, A.L.Hughes, and G.J.Martyna

TE Gas-liquid nucleation in associating fluids
AU V.Talanquer and D.W.Oxtoby

TE Calculation of the vibrational linewidth and line shape of Raman
   spectra using the relaxation funcion. I. Method and application
   to nitrogen
AU M.Eline Kooi, Floris Smit, Jan P.J.Michels, and Jan A.Schouten

TE Calculation of the vibrational linewidth and line shape of Raman
   spectra using the relaxation function. II. Application to the
   mixture neon-nitrogen with inhomogeeous broadening due to
   concentration fluctuations
AU M.Eline Kooi, Jan P.J.Michels, and Jan A.Schouten

TE Light scattering by fluctuations within a nematic wetting layer
   in a isotropic phase of a liquid crystal
AU Reinhard Sigel and Gert Strobl

TE Simple physical model of liquid water
AU Hajime Tanaka

TE Induced nematic phase in a polymer/liquid crystal mixture
AU Akihiko Matsuyama and Tadaya Kato

TE Calculation of the lifetime of positronium in polymers via
   molecular dynamics simulations
AU Heiko Schmitz and Florian Muller-Plathe

TE Structure of liquid caesium-bismuth alloys studied by neutron
AU S.A.van der Aart, V.W.J.Verhoeven, P.Verkerk, and W.van der Lugt

TE A direct-dynamics study of proton transfer through water bridges
   in guanine and 7-azaindole
AU Zorka Smedarchina, Willem Siebrand, Antonio Fernandez-Ramos,
   Leonid Gorb, and Jerzy Leszczynski

TE Kinetic and Monte Carlo models of thin film coarening: Cross
   over from diffusion-coalescence to Ostwald growth modes
AU Alan Lo and Rex T.Skodje

TE Geometrical reconstructions and electronic reaxations of silicon
   surfaces. I. An electron density topological study of H-covered
   and clean Si(111)(1X1) surfaces
AU Fausto Cargnoni, Carlo Gatti, Emanuela May, and Dario Narducci

TE Simulation of adsorption kinetics of lipid vesicles
AU V.P.Zhdanov, C.A.Keller, K.Glasmastar, and B.Kasemo

TE Optical reflectivity changes induced by adsorption on metal
   surfaces: The origin and applications to monitoring adsorption
AU Joseph Dvorak and Hai-Lung Dai

TE Core-induced photofragmentation of acetonitrile adsorbed on
   Au(111) and Pt(111)
AU Ph.Parent, C.Laffon, and F.Bournel

TE Ion stimulated desorption of O{^+} from the oxygenated TiC(111)
   surface: The role of non-adiabatic elecronic transitions and the
   band effect fect
AU R.Souda, H.Kawanowa, S.Otani, and T.Aizawa

TE Phase transformations and electronic properties in mixed-metal
   oxides: Experimental and theoretical studies on the behavior of
   NiMoO{_4} and MgMoO{_4}
AU Jose A.Rodriguez, Jonathan C.Hanson, Sanjay Chaturvedi,
   Amitesh Maiti, and Joaquin L.Brito

TE Layering transition at the free surface of 12CB observed by
   scanning angle reflectometry
AU Naoto Sakamoto, Keiji Sakai, and Kenshiro Takagi