Journal of Chemical Physics, 1998, V 109, N 17, 1 Nov.

TE Electronic spectra of jet-cooled 1-phenylpyrrole.
   Large-amplitude torsional motion and twisted intramolecular
   charge-transfer phenomenon
AU Katsuhiko Okuyama, Yasushi Numata, Shino Odawara,
   and Isamu Suzuka

TE Responses of an immobilized-catalyst Belousovabotinsky reaction
   system to electric fields
AU Kenji Miyakawa and Michiko Mizoguchi

TE Symmetry-adapted filter-diagonalization. Calculaion of the
   vibrational spectrum of planar acetylene from correlation
   functions
AU Rongqing Chen, Hua Guo, Li Liu, and James T.Muckerman

TE Room temperature fluorescence characteristics of single dye
   molecules adsorbed on a glass surface
AU Kenneth D.Weston, Paul J.Carson, Horia Metiu,
   and Steven K.Buratto

TE Determination of photofragment ion translational energy and
   angular distributions in an octopole ionn guide. A case study of
   the Ar{_2}{^+} and (N{_2}O{^.}H{_2}O){^+} cluster ions
AU S.Williams, Y.-H.Chiu, D.J.Levandier, and R.A.Dressler

TE Electronic spectroscopy and dynamics of the monomer and Ar{_n}
   clusters of 9-phenylfluoerene
AU Jonathan D.Pitts and J.L.Knee

TE O formation from O{_2} via Rydberg-Rydberg electron transfer
AU K.Nagesha and L.A.Pinnaduwage

TE Matrix isolation study of the interaction of excited neon atoms
   with CCl{_4}. Infrared spectra of the ion products and of
   Cl{_2}CCl{^..}Cl
AU Catherine L.Lugez, Marilyn E.Jacox, and Russell D.Johnson III

TE VUV photochemistry of CH{_4} and isotopomers. I. Dynamics and
   dissociation pathways of the H/Dtom elimination channel
AU Jen-Han Wang and Kopin Liu

TE Time-dependent self-consistent-field dynamics based on a
   reaction path Hamiltonian. II. Numerical tests
AU Jian-Yun Fang and Sharon Hammes-Schiffer

TE Microwave spectroscopy of the NBr radical in the
   X{^3}{SIGMA}{^-} state
AU Toru Sakamaki, Toshiaki Okabayashi, and Mitsutoshi Tanimoto

TE Quantum mechanical and quasi-classical simulations of molecular
   beam experiments for the F+H{_2} --> HF+H reaction on two ab
   initio potential energy surfaces
AU J.F.Castillo, B.Hartke, H.-J.Werner, F.J.Aoiz, L.Banares,
   and B.Martinez-Haya

TE Efficient truncation strategies for multi refeence configuration
   interaction molecular eneries and properties
AU Paolo Palmieri, Riccardo Tarroni, Alexander O.Mitrushenkov,
   and Sten Rettrup

TE Dynamics of HI photodissociation in the A band absorption via
   H-atom Doppler spectroscopy
AU Denis J.Gendron and J.W.Hepburn

TE Phase measurement in a collinear pump probe experiment.
   Application to molecular dynamics studies in liquids
AU Bruno Bousquet, Lionel Canioni, and Laurent Sarger

TE Optical spectroscopy of the Ag{^+} ion in NaF. Expeimental
   results and analysis of manifestations of the Jahn-Teller effect
AU H.Bill, G.J.Hollingsworth, D.S.McClure, B.Moine, and Ch.Pedrini

TE Charge-overlap effect on the electronic transiions in
   moderate-energy collisions between closed-shell particles with
   rare-gas structure
AU S.Kita, S.Gotoh, T.Hasegawa, and N.Shimakura

TE Erratum: Surface roughening: Kinetics, adsorate-induced effects,
   and manifestation in cataytic reactions [J. Chem. Phys. 108,
   4582 (1998)]
AU V.P.Zhdanov and B.Kasemo

TE The near ultraviolet dissociation dynamics of azomethane.
   Correlated V-T energy disposal and product appearance times
AU Allan S.Bracker, Simon W.North, Arthur G.Suits, and Yuan T.Lee

TE Semiclassical theory of electronically nonadiabatic dynamics.
   Results of a linearized approximation to the initial value
   representation
AU Xiong Sun, Haobin Wang, and William H.Miller

TE Calculated high temperature partition function and related
   thermodyhnaic data for H{_2}{^16}O
AU Gregory J.Harris, Serena Viti, Hamse Y.Mussa,
   and Jonathan Tennyson

TE An ab initio study of specific solvent effects on the electronic
   coupling element in electron transer reactions
AU Thomas M.Henderson and Robert J.Cave

TE Coupled cluster investigation of the electric field gradient
   induced birefringence of H{_2}, N{_2}, C{_2}H{_2} and CH{_4}
AU Sonia Coriani, Christof Hattig, Poul Jorgensen, Antonio Rizzo,
   and Kenneth Ruud

TE Methods for geometry optimization of large molecules. I. An
   O(N{^2}) algorithm for solving systems of linear equations for
   the transformation of coordinates and forces
AU Odon Farkas and H.Bernhard Schlegel

TE Theoretical study of the OH{^-}(H{_2}O){_2} system. Nature and
   importance of three body interctions
AU N.Turki, A.Milet, A.Rahmouni, O.Ouamer R.Moszynski, E.Kochanski,
   and P.E.S.Wormer

TE On the perturbative estimates of the correlation energy from
   localized orbitals in periodic systems
AU P.Reinhardt and J.-P.Malrieu

TE Photodissociation dynamics of HNF. I. Ab initio calculation of
   global potential energy surfaces, vibrational energies and wave
   functions
AU Wei-Hai Fang, Sigrid Peyerimhoff, Christian Beck,
   Heiner Flothmann, Reinhard Schinke, Hans Ulrich Suter,
   and J.Robert Huber

TE Proton tunneling in benzoic acid crystals at interediate
   temperatures. NMR and neutron scattering studies
AU M.Neumann, D.F.Brougham, C.J.McGloin, M.R.Johnson,
   A.J.Horsewill, and H.P.Trommsdorff

TE Effect of electrostatic interactions on the structure and
   dynamics of a model polyelectroyte. I. Diffusion
AU Hui Liu, Lidia Skibinska, Jacek Gapinski, Adam Patkowski,
   Erhard W.Fischer, and R.Pecora

TE Ab initio molecular dynamics simulations of liquid GaAs
AU V.Godlevsky and James R.Chelikowsky

TE Stability study of icosahedral phases in diblock copolymer melt
AU Jiunn-Ren Roan and E.I.Shakhnovich

TE Optimizing electrostatic affinity in ligandeceptor binding.
   Theory, computation, and ligand properties
AU Erik Kangas and Bruce Tidor

TE Temperature and pressure dependence of hydrogen bond strength. A
   perturbation molecular orbital approach
AU Ralph C.Dougherty

TE Droplet interaction in the spinodal decomposition of a fluid
AU V.Kumaran

TE An accurate equation of state for the exponenial-6 fluid applied
   to dense supercritical nitrogen
AU Laurence E.Fried and W.Michael Howard

TE A Born-Green-Yvon integral equation theory for self-interacting
   lattice polymers
AU Mark P.Taylor and J.E.G.Lipson

TE Efficient sampling of solvent free energies in polymers
AU N.F.A.van der Vegt and W.J Briels

TE Solubility of non-polar solutes in water. Computer simulations
   using the CF1 central force model
AU Jonathan W.Arthur and A.D.J.Haymet

TE Molecular conformation of a polyaramid in nematic solution from
   small angle neutron scattering and comparison with theory
AU S.J.Picken, L.Noirez, and G.R.Luckhurst

TE Monte Carlo simulation of an ion-dipole mixture as a model of an
   electrical double layer
AU Dezso Boda, Kwong-Yu Chan, and Douglas Henderson

TE Exact calculation of the solvation energy of a pair of ions in
   polar media within the framework of the dielectric continuum
   model
AU Kunimasa Miyazaki and M.Tachiya

TE Magnetic field effects on the recombination fluoescence of
   anthracene cation and perfluorocarbon anions
AU V.M.Grigoryants, S.D.McGrane, and S.Lipsky

TE Distribution of solute at solid-liquid interface during
   solidification of melt
AU Keisuke Fukui and Kouji Maeda

TE Structural evolution of phase-separating model colloidal liquids
   by Brownian dynamics computer simulation
AU J.F.M.Lodge and D.M.Heyes

TE Equilibrium structural model of liquid water. Evidence from heat
   capacity, spectra, and other properties
AU Ralph C.Dougherty and Louis N.Howard

TE The merging of the dielectric {alpha}- and {beta}-relaxaions in
   poly(methyl methacrylate)
AU R.Bergman, F.Alvarez, A.Alegria, and J.Colmenero

TE Dynamic evidence of chemical and physical traps in H-bonded
   confined liquids
AU V.Crupi, G.Maisano, D.Majolino, P.Migliardo, and V.Venuti

TE AC conductivity and electrical conductivity relaxation in an
   intercalated polymer elecrolyte
AU P.Jeevanandam and S.Vasudevan

TE Arrhenius and non-Arrhenius conductivities in intercalated
   polymer electrolytes
AU P.Jeevanandam and S.Vasudevan

TE Vibrational spectrum of (CO){_2} on Cu(100). Quantum
   calculations with 18 coupled modes
AU Fedor Dzegilenko, Joel M.Bowman, and Stuart Carter

TE Restricted primitive model of an ionic solution confined to a
   plane
AU J.J.Weis, D.Levesque, and J.M.Caillol

TE Infrared spectroscopy anaysis of the local atomic structure in
   silica prepared by sol-gel
AU J.R.Martinez, F.Ruiz, Y.V.Vorobiev,
   F.Perez-Robles and J.Gonzalez-Hernandez