Journal of Chemical Physics, 1999, V 111, N 5, 1 Aug.


TE Classical nuclation theory for the nucleation of the solid phase
   of spherical particles with a short-ranged attraction
AU Richard P.Sear

TE Classical mechanics and the spreading of localzed wavepackets in
   condensed phase molecular systems
AU Michael F.Herman and David F.Coker

TE On the role of dielectric friction in vibrational energy
   relaxation
AU Branka M.Ladanyi and Richard M.Stratt

TE Erratum: Ab initio relativistic effective potentials with spin
   orbit operators. VII. Am through element 18
   [J. Chem. Phys. 106, 5133 (1997)]
AU Clinton S.Nash, Bruce E.Bursten, and Walter C.Ermler

TE The application of complex absorbing potentials to an invariant
   embedding scattering method: II. Applications
AU Fermin Huarte-Larranaga, Xavier Gimenez, Josep M.Lucas,
   and Antonio Aguilar

TE Dynamics on statistical samples of potential energy surfaces
AU Keith D.Ball and R.Stephen Berry

TE Calculations of argon broadening and shift for HCO{^+}
   rotational lines at 77 K
AU G.Buffa, O.Tarrini, G.Cazzoli, and L.Dore

TE Photodissociation of HBr molecules and clusters: Anisotropy
   parameters, branching ratios, and kinetic energy distributions
AU Reinhard Baumfalk, Udo Buck, Christian Frischkorn,
   Nils Hendrik Nahler, and Lutz Huwel

TE Rotationally resolved pulsed field ionization photolectron bands
   of O{_2}{^+}(X{^2}{PI}{_1/2,3/2g}, v{^+}=0-38) in the energy
   range of 12.05-18.15 eV
AU Y.Song, M.Evans, C.Y.Ng, C.-W.Hsu, and G.K.Jarvis

TE Evidence of a perpendicular component in the photodissociation
   of BrCN at 213 nm
AU Karen J.Franks, Hongzhi Li, and Wei Kong

TE New empirical rate expression for reactions without a barrier:
   Analysis of the reaction of CN with O{_2}
AU Jan P.Hessler

TE Vibrational and rotational collisional relaxation in CO{_2}-Ar
   and CO{_2}-He mixtures studied by stimulated Raman-infrared
   double resonance
AU A.Deroussiaux and B.Lavorel

TE ArHF vibrational predissociation dynamics using the
   diatomics-in-molecule potential energy surface
AU A.A.Buchachenko and N.F.Stepanov, B.L.Grigorenko,
   and A.V.Nemukhin

TE Erratum: Resonance raman intensity analysis of dicyano
   vinyl-azaadamantane: Mode-specific reorganization energies for
   charge-transfer and locally-excited states
   [J. Chem. Phys 109, 10958 (1998)]
AU Mark Lilichenko and Anne Myers Kelley

TE Quantum mechanical study of the vibrational relaxaion of
   O{_2}{^+} colliding with Kr
AU Mark Craimer, Sergei K.Pogrebnya, and David C.Clary

TE Vibrational spectrum of B{_2}C in argon at 10K
AU C.William Larson and Jose Domingo Presilla-Marquez

TE A quantum mechanical view of molecular alignment and cooling in
   seeded supersonic expansions
AU V.Aquilanti, D.Ascenzi, M.de Castro Vitores, F.Pirani,
   and D.Cappelletti

TE A comparison of methods for the calculation of NMR chemical
   shifts
AU Thomas Gregor, Francesco Mauri, and Roberto Car

TE Ab initio calculation of elastic constants of SiO{_2} Stishovite
   and {alpha}-quartz
AU Bengt Holm and Rajeev Ahuja

TE Recursion representation of gradient expansion for free fermion
   ground state in one dimension
AU L.Samaj and J.K.Percus

TE Towards standard methods for benchmark quality ab initio
   thermochemistry - W1 and W2 theory
AU Jan M.L.Martin and Glenisson de Oliveira

TE Dipole and quadrupole polarization in ionic systems: Ab initio
   studies
AU Patrick Jemmer, Mark Wilson, Paul A.Madden, and Patrick W.Fowler

TE Evolution of the electronic structure and properies of neutral
   and charged aluminum clusters: A comprehensive analysis
AU B.K.Rao and P.Jena

TE Density functional investigation on the ferromagnetic coupling
   of spins in phenylenevinylene-bridged nitroxide radicals:
   Monomer and polymer cases
AU Masaki Mitani, Daisuke Yamaki, Yasunori Yoshioka,
   and Kizashi Yamaguchi

TE Infinite basis limits in electronic structure theory
AU Patton L.Fast, Maria L.Sanchez, and Donald G.Truhlar

TE Phase behavior of gradient copolymers
AU Aleksij Aksimentiev and Robert Holyst

TE Self-diffusion of an asymmetric diblock copolymer above and
   below the order-to-disorder transition temperature
AU Gerald Fleischer, Frank Rittig, Joerg Kaerger,
   Christine M.Papadakis, Kell Mortensen, Kristoffer Almdal,
   and Petr Stepanek

TE Associating polyelectrolytes: Finite size cluster stabilization
   vs. physical gel formation
AU I.I.Potemkin, V.V.Vasilevskaya, and A.R.Khokhlov

TE Phase separation of polymer blend films near patterned surfaces
AU L.Kielhorn and M.Muthukumar

TE Adsorption of polydisperse polymer chains
AU Richard P.Sear

TE The induction period of CaCl{_2} - Na{_2}CO{_3} system: Theory
   and experiment
AU Wen-Chen Chien, Clifford Y.Tai, and Jyh-Ping Hsu

TE Liquid vapor equilibria for an ab-initio model for water
AU A.D.Mackie, J.Hernandez-Cobos, and L.F.Vega

TE A lattice model for fluids with directional interactions
AU Grigoriy Aranovich, Paul Donohue, and Marc Donohue

TE Lithium perchlorate ion pairing in a model of amorphous
   polyethylene oxide
AU J.W.Halley, Y.Duan, L.A.Curtiss, and A.G.Baboul

TE Liquid-drop formalism and free-energy surfaces in binary
   homogeneous nucleation theory
AU Ari Laaksonen, Robert McGraw, and Hanna Vehkamaeki

TE Time-temperature and time-density superposition in the
   simulation of rheological properties of polymers
AU Yannick Rouault and Kurt Kremer

TE Non-linear thermal response at the glass transition
AU C.Schick, M.Merzlyakov, and A.Hensel

TE Wetting of a fluid interface by a homopolymer. A system with a
   rich prewetting behviour
AU F.A.M.Leermakers, C.Dorrepaal, and N.A.M.Besseling

TE From polypeptide sequences to structures using Monte Carlo
   simulations and an optimized potential
AU Philippe Derreumaux

TE Quantum consideration of electron transfer solvent control
AU P.A.Frantsuzov

TE Structure of molten MCl{_3} systems from a polariable ion
   simulation model
AU Francis Hutchinson, Adrian J.Rowley, Malcolm K.Walters,
   Mark Wilson, Paul A.Madden, Jonathan C.Wasse, and Philip S.Salmon

TE Two-order-parameter description of liquids: I. A general model
   of glass transition covering its strong to fragile limit
AU Hajime Tanaka

TE Two-order-parameter description of liquids: II. Criteria for
   vitrification and predicions of our model
AU Hajime Tanaka

TE Translational rotational coupling in supercooled liquids:
   Heterodyne detected density induced molecular alignment
AU G.Hinze, R.S.Francis, and M.D.Fayer

TE Photoconductivity and singlet oxygen generation in illuminated
   polymer in the air atmosphere
AU A.I.Burshtein and O.A.Igoshin

TE Ab initio study of dopant insertion into carbon nanotubes
AU Amir A.Farajian, Kaoru Ohno, Keivan Esfarjani, Yutaka Maruyama,
   and Yoshiyuki Kawazoe

TE Screening ionic motion in sodalite cages: A dynamical study
AU F.Filippone and F.A.Gianturco

TE Physical aging by periodic creep and interruped creep experiments
AU Kevin M.Bernatz, Lily Giri, Sindee L.Simon, and Donald J.Plazek

TE Electron-lattice dynamics on Jahn-Teller surfaces in Ag:Xe
   crystals
AU K.Bammel, P.Dietrich, and N.Schwentner

TE Empirical Jahn-Teller potential surfaces for silver doped xenon
   matrices
AU P.Dietrich and N.Schwentner

TE Lateral interactions in coadsorbate layers: Vibraional frequency
   shifts
AU R.L.C.Wang, H.J.Kreuzer, P.Jakob, and D.Menzel

TE A consistent correlation approach to single file diffusion with
   reaction
AU Miles S.Okino, Randall Q.Snurr, Harold H.Kung, Joshua Ochs,
   and Michael L.Mavrovouniotis

TE Simplified model for the analysis of interaction types in
   two-stranded coiled-coils
AU Maria M.Gil, Ana M.Rubio, and Antonio Rey

TE A simulation study of the kinetics of passage of CO{_2} and
   N{_2} through the liquid/vapour interface of water
AU T.Somasundaram, M.in het Panhuis, R.M.Lynden-Bell,
   and C.H.Patterson

TE Etching process of SiO{_2} by HF molecules
AU T.Hoshino and Y.Nishioka

TE Modeling of zeolite L crystallization using coninuum time Monte
   Carlo simulations
AU Vladimiros Nikolakis, Dionisios G.Vlachos, and Michael Tsapatsis

TE Interaction of gaseous D atoms with alkyl halides adsorbed on
   Pt(111), H/Pt(111), and C/Pt(111) suraces: Hot-atom and
   Eley-Rideal reactions. I. Methyl bromide
AU S.Wehner and J.Kuppers

TE Interaction of gaseous D atoms with alkyl halides adsorbed on
   Pt(111), H/Pt(111), and C/Pt(111) suraces: Hot-atom and
   Eley-Rideal reactions. II. Ethyl iodide
AU S.Wehner and J.Kuppers

TE Interaction of gaseous D atoms with alkyl halides adsorbed on
   Pt(111), H/Pt(111), and C/Pt(111) suraces: Hot-atom and
   Eley-Rideal reactions. III. Isopropyl iodide
AU S.Wehner and J.Kuppers