JOURNAL OF CHEMICAL PHYSICS

    --------------------------------
   Journal of Chemical Physics
   Scheduled Issue 810: 08 Mar 1998
   --------------------------------
TE Limited coordination number and competitive coordination in
   ammonia-water mixed-ligand complexes of monopositive metal ions as
   studied by laser ablation-molecular beam method...
AU Hiroyasu Sato, Akiyoshi Matsuzaki, Satoru Nishio, Osamu Ito,
   Koji Furukawa, and Takashi Kawasaki
TE Electronic- to -vibrational and -rotational energy transfer in
   S({^1}D) + CO quenching reaction. Ab initio MO and surface hopping
   trajectory studies
AU Hiroto Tachikawa
TE Dynamical quenching of field-induced dissociation
   of H{_2}{^+} in intense infra-red lasers
AU F.Chateauneuf, T.-T.Nguyen-Dang, N.Ouellet, and O.Atabek
TE Optical absorption investigation on colloidal
   silver. Aggregate band and adsorbate-silver surface band
AU Y.Fang
TE Monte Carlo simulations of a surface reaction model showing
   spatio-temporal pattern formations and oscillations
AU R.J.Gelten, A.P.J.Jansen, R.A.van Santen, J.J.Lukkien, J.P.L.Segers,
   and P.A.J.Hilbers
TE Low-energy electron scattering from the water molecule. Angular
   distributions and rotational excitation
AU F.A.Gianturco, P.Paioletti, R.R.Lucchese, and N.Sanna
TE The largest angle generalization of the rotating bond order
   potential. Three different atom reactions
AU A.Lagana, G.Ochoa de Aspuru, and E.Garcia
TE Calculation of nuclear magnetic shieldings. XII.
   Relativistic no-pair equation
AU H.Fukui and T.Baba
TE Structural, vibrational and optical properties
   of silicon cluster assembled films
AU P.Melinon, P.Keghelian, B.Prevel, V.Dupuis, A.Perez, B.Champagnon,
   Y.Guyot, M.Pellarin, J.Lerme, M.Broyer, J.L.Rousset, and P.Delichere
TE Phase lag near the resonances in ({omega}{_1}, {omega}{_3})
   coherent control
AU Sungyul Lee
TE Exterior complex dilation for grid methods. Application to the
   cumulative reaction probability
AU Hans O.Karlsson
TE Surface diffusion of K on Pd{111}. Coverage dependence of the
   diffusion coefficient determined with the Boltzmann-Matano method
AU M.Snabl, M.Ondrejcek, V.Chab, Z.Chvoj, W.Stenzel, H.Conrad,
   and A.M.Bradshaw
TE Femtosecond dynamics of NaI ionization and dissociative ionization
AU Eric Charron and Annick Suzor-Weiner
TE Competitive events in fifth order time resolved
   coherent Raman scattering. Direct versus sequential processes
AU Darin J.Ulness, Jason C.Kirkwood, and A.C.Albrecht
TE The hard ellipsoid potential model and the limit
   of rotational energy transfer in molecular collisions
AU Paras Mal Agrawal, Shashank Tilwankar, and Narendra K.Dabkara
TE Identification of trans-free base isobacteriochlorin's
   S{_2} <-- S{_0} origin
AU Wen-Ying Huang and Lawrence W.Johnson
TE Six-wave mixing spectroscopy: Resonant coherent hyper-Raman
   scattering
AU Mino Yang, Joohyun Kim, Younjoon Jung, and Minhaeng Cho
TE Adsorption and desorption dynamics of H{_2} and D{_2}
   on Cu(111). The role of surface temperature and
   evidence for corrugation of the dissociation barrier
AU M.J.Murphy and A.Hodgson
TE Rotational structure in the absorption spectra of
   {^18}O{_3} and {^16}O{_3} near 1{mu}m:  A comparative study of
   the {^3}A{_2} and {^3}B{_2} states
AU Jurgen Gunther, Stuart M.Anderson, Georg Hilpert,
   and Konrad Mauersberger
TE Magnetic circular dichroism study of CdSe quantum dots
AU M.Kuno, M.Nirmal, M.G.Bawendi, Alexander Efros, and Mervine Rosen
TE Towards an accurate gold carbonyl binding energy in
   AuCO{^+}. Basis set convergence and a comparison between
   density functional and conventional methods
AU Thomas K.Dargel, Roland H.Hertwig, Wolfram Koch, and Hans Horn
TE Femtosecond fifth-order nonlinear response of nuclear motion in
   liquids investigated by incoherent laser light.Part I. Theory
AU M.Pfeiffer and A.Lau
TE Femtosecond fifth-order nonlinear response of nuclear motion in
   liquids investigated by incoherent laser light. Part II. Experiment
AU A.Lau, M.Pfeiffer, V.Kozich, and F.Tscirschwitz
TE Determination of lateral interaction energies
   in AgAu alloy films on Ru(0001) by Monte Carlo simulations
AU J.Michels and K.Wandelt
TE Ab initio study on the mechanism of C{_2}H{_2}{^+} + NH{_3}
   reaction. Efficient charge transfer and proton
   transfer processes competing with stable complex formation
AU Qiang Cu and Keiji Morokuma
TE TDMP2 calculation of dynamic multipole polarizabilities and
   dispersion coefficients for the halogen anions F{^-}, Cl{^-},
   Br{^-} and I{^-}
AU Christof Hattig and Bernd Artur He{beta}
TE The rotational spectrum and nuclear quadrupole
   hyperfine structure of CO{_2}-N{_2}O
AU Helen O.Leung
TE Microwave spectrum of the furan-CO van der Waals complex
AU Th.Brupbacher, J.Makarewicz, and A.Bauder
TE A coupled cluster study of the 1{^1}A{_1g} and 1{^1}B{_2u}
   states of benzene
AU Ove Christiansen, John F.Stanton, and Jurgen Gauss
TE Ultrafast reaction dynamics in cluster ions. Simulation of the
   transient photoelectron spectrum of I{_2}AR{_n} photodissociation
AU J.Faeder and R.Parson
TE Calculated paramagnetic hyperfine structure of
   pentagonal bipyramid Ag{_7} cluster
AU Ramairo Arratia-Perez, Lucia Hernandez-Acevedo,
   and Luis Alvarez-Thon
TE The dissociation of diatomic molecules on vibrating
   surfaces. A semiclassical generalized Langevin approach
AU Michael Dohle, Peter Saalfrank, and T.Uzer
TE Generalized pathway model to compute and analyze
   tunneling matrix elements in proteins
AU Paulo C.P.de Andrade and Jose N.Onuchic
TE Quantum reactive scattering for three-body systems
   via optimized preconditioning, as applied to the O+HC1 reaction
AU Bill Poirier
TE Study of the NH{_4} tunneling manifold by energy level matching in
   the proton spin rotating frame
AU C.Choi, A.Damyanovich, J.Peternelj, and M.M.Pintar
TE Theoretical study of the electronic states of CS{_2}+
AU M.Hochlaf, G.Chambaud, and P.Rosmus
TE Photodissociation of excited triplet and singlet
   states of the CCO radical
AU Hyeon Choi, David H.Mordaunt, Ryan T.Bise,
   Travis R.Taylor, and Daniel M.Neumark
TE Singly vibrationally enhanced infrared four
   wave mixing spectroscopy
AU Mitchell J.LaBuda and John C.Wright
TE Rapid vapor deposition of millimeters thick
   optically transparent parahydrogen solids
   for matrix isoaltion spectroscopy
AU Mario E.Fajardo and Simon Tam
TE Comment on:  The hyperpolarizability of trans-butadiene revisited
AU Bernard Kirtman, Joseph L.Toto, Curt Breneman, Celso P.de Melo, and
   David M.Bishop
TE Reply to the Comment on: The hyperpolarizability
   of trans-butadiene revisited
AU Patrick Norman, Yi Luo, Dan Johnson, and Hans Agren
TE  Molecular dynamics in low-spin excited states
AU Irmgard Frank, Jurg Hutter, Dominik Marx, and Michele Parrinello
TE Nuclear relaxation contributions to static and dynamic
   (infinite-frequency approximation) non-linear optical properties by
   means of electrical property expansions.
   Application to HF, CH{_4},...
AU Josep M.Luis, Josep Marti, Miquel Duran, Jose L.Andres,
   and Bernard Kirtman
TE Tethered chains in theta solvent conditions. An experimental study
   involving Langmuir diblock copolymer monolayers
AU M.S.Kent, J.Majewski, G.S.Smith, L.T.Lee, and S.Satija
TE Proton rotating frame spin-lattice relaxation
   study of slow motion of pore water
AU R.Holly, H.Peemoeller, C.Choi, and M.M.Pintar
TE Dynamical structure of oligo(ethylene glycol)s-water solutions
   studied by time domain reflectometry
AU Takaaki Sato, Hiromu Niwa, Akio Chiba, and Ryusuke Nozaki
TE Diffusion of liquid n-alkanes. Free volume and density effects
AU E.von Meerwall, S.Beckman, J.Jang, and W.L.Mattice
TE From many monomers to many polymers. Soft ellipsoid
   model for polymer melts and mixtures
AU Michael Murat and Kurt Kremer
TE Thermally-induced morphological transition from
   lamella to gyroid in a binary blend of diblock copolymers
AU Shinichi Sakurai, Hideo Umeda, Chizuko Furukawa, Hiroshi Irie,
   Shunji Nomura, Hee Hyun Lee, and Jin Kon Kim
TE Molecular dynamics simulations of the MgO (001) surface
   hydroxylation
AU Jaime Oviedo, Carmen J.Calzado, and Javier Fernandez.Sanz
TE Scaling of the interfacial tension of microemulsions.
   A Landau theory approach
AU H.Leitao, M.M.Telo da Gama, and R.Strey
TE Deuteration-induced phase transition in ammonium hexachloroplumbate
AU Y.Kume, H.Muraoka, O.Yamamuro, and T.Matsuo
TE Dynamic path integral methods. A maximum entropy approach based on
   the combined use of real and imaginary time quantum Monte Carlo data
AU Dongsup Kim, J.D.Doll, and David L.Freeman
TE Two-photon absorption spectrum of 3-butoxycarbonylmethylurethane
   polydiacetylene thin films
AU GianPiero Banfi, Davide Fortusini, Paolo Dainesi, Daniela Grando,
   and Stefano Sottini
TE Orientational ordering and dynamics in the columnar phase of a
   discotic liquid crystal studied by deuteron NMR spectroscopy
AU X.Shen, Ronald Y.Dong, N.Boden, R.J.Bushby, P.S.Martin, and A.Wood
TE The photodepletion action spectrum of the (BaF){_2} cluster
AU R.Pereira, S.Skowronek, and A.Gonzalez Urena
TE The solvation of ions in acetonitrile and acetone.
   A molecular Ornstein-Zernike study
AU J.Richardi, P.H.Fries, and H.Krienke
TE Lithium impurity recombination in solid para-hydrogen. A path
   integral quantum transition state theory study
AU Seogjoo Jang and Gregory A.Voth
TE Microscopic solvent structure of supercritical
   carbon dioxide and its mixtures with methanol
   in the cybotactic region of the solute molecule
AU Dmitry S.Bulgarevich, Takeshi Sako, Tsutomu Sugeta, Katsuto Otake,
   Masahito Sato, Masayuki Uesugi, and Masahiro Kato
TE Critical behavior of asymmetric polymer blend solutions.
   Poly(methyl methacrylate)/poly(dimethyl siloxane)/solvent
AU Naoshi Miyashita and Takuhei Nose
TE Monte Carlo simulation of the phase separation dynamics of polymer
   blends in the presence of block copolymers. 4. Effects of chain
   length and composition of repulsive block copolymer
AU Seung Hyun Kim and Won Ho Jo
TE Comment on: Modified nonequilibrium molecular
   dynamics for fluid flows with energy conservation
   [J.Chem.Phys.106, 5615 (1997)]
AU Denis J.Evans, Debra J.Searles, William G.Hoover, C.G.Hoover,
   Brad Lee Holian, Harald A.Posch, and Gary P.Morriss
TE Reply to Comment on:  Modified nonequilibrium molecular dynamics for
   fluid flows with energy conservation
AU Mark E.Tuckerman, Christopher J.Mundy, Sundaram Balasubramanian, and
   Michael L.Klein
TE Influence of long-range interactions in the
   diffusion of multiparticle systems
AU J.R.Lepore and E.V.Albano