Journal of Chemical Physics, 1999, V 110, N 13, 1 Apr.


TE Forward-backward initial value representation for semiclassical
   time correlation functions
AU Xiong Sun and William H.Miller

TE Experimental determination of the reaction time for hydrogen
   isotope exchange H{_2} + D{_2} --> 2HD on Ni(110)
AU Massimo F.Bertino and J.Peter Toennies

TE Lifetimes of the CO metastable a{^3}{pi} ({upsilon} < 3,
   {OMEGA}, J) levels
AU Thomas Sykora and C.R.Vidal

TE Fully coupled six-dimensional calculations of the water dimer
   vibration-rotation-tunneling states with split Wigner
   pseudospectral approach. II. Improvements and tests of
   additional potentials
AU R.S.Fellers, L.B.Braly, R.J.Saykally, and C.Leforestier

TE Femtosecond laser interactions with methyl iodide clusters. I.
   Coulomb explosion at 795 nm
AU J.V.Ford, Q.Zhong, L.Poth, and A.W.Castleman, Jr.

TE Fitting classical microcanonical unimolecular rate constants to
   a modified RRK expression. Anharmonic and variational effects
AU Kihyung Song and William L.Hase

TE Erratum: On nonadiabatic molecular dynamics simulations of the
   photofragmentation and geminate recombination dynamics in
   size-selected I{_2}{^-}. Ar{_n} cluster ions [J. Chem. Phys.
   106, 7102 (1997)]
AU V.S.Batista and D.F.Coker

TE Longitudinal dielectric properties of molecular liquids:
   Molecular dynamics simulation studies of CH{_3}CN, C{_6}H{_6},
   and CO{_2}
AU Baw-Ching Perng and Branka M.Ladanyi

TE Photodetachment studies of extended excited states in
   I{^-}Xe{_n} clusters (n=1-54)
AU Israela Becker and Ori Cheshnovsky

TE Spectroscopy, resolution and ab-initio calculation of vibronic
   fine structure in the optical absorption of Rh(III) doped in NaCl
AU Carl Ribbing, Ben Gilliams, Arnout Ceulemans, Kristine Pierloot,
   Dirk Vandenbroucke, and Bjorn O.Roos

TE The inner valence photoionization of acetylene
AU M.Wells and Robert R.Lucchese

TE Resonant two-color photoionization threshold measurements of the
   Zn{^+}(4s){.}Ar bond strength: Model-potential analysis of
   M{^+}(ns){.}Ar interactions
AU Allen W.K.Leung, D.Bellert, Ryan R.Julian, and W.H.Breckenridge

TE Determination of highly excited rovibrational states for N{_2}O
   using generalized internal coordinates
AU Jose Zuniga, Mercedes Alacid, Adolfo Bastida,
   Francisco J.Carvajal, and Alberto Requena

TE Car-Parrinello molecular dynamics on excited state surfaces
AU Eric R.Bittner and D.S.Kosov

TE Crossed beam reaction of atomic carbon, C({^3}P{_j}), with
   d{_6}-benzene, C{_6}D{_^}(X{^1}A{_1g}): Observation of the
   per-deu-tero-1,2-didehydrocycloheptatrienyl radical, C{_7}D{_5}
   (X{^2}B{_2})
AU R.I.Kaiser, I.Hahndorf, L.C.L.Huang, Y.T.Lee, H.F.Bettinger,
   P.v.R.Schleyer, H.F.Schaefer III, and P.Schreiner

TE Unraveling the mysteries of metastable O{_4}
AU Darcy S.Peterka, Musahid Ahmed, Arthur G.Suits,
   Kenneth J.Wilson, Anatoli Korkin, Marcel Nooijen,
   and Rodney J.Bartlett

TE On the photoelectron spectrum of the NO dimer, and the ground
   state of (NO){_2}{^+}
AU Allan L.L.East and James K.G.Watson

TE Development of an intermolecular potential function for
   interactions in formamide clusters based on ab initio
   calculations
AU Enrique M.Cabaleiro-Lago and Miguel A.Rios

TE On the origin and contribution of the diamagnetic term in
   4-component relativistic calculations of magnetic properties
AU G.A.Aucar, T.Saue, L.Visscher, and H.J.Aa.Jensen

TE Hydrogen bonding and cooperatire effects in mixed dimers and
   trimers of methanol and tri-fluoromethanol. An ab initio study
AU Ruben D.Parra and X.C.Zeng

TE Density functional, single and multi-reference perturbation
   theory study of the reaction {^3}{SIGMA}{_g} O{_2} +
   HOCH{_2}CH{_2}{.}--> HOO{.} + HOCH =CH{_2}, modelling an
   important step in tropospheric benzene oxidation
AU Giovanni Ghigo and Glauco Tonachini

TE Evaluation of gradient corrections in grid-free density
   functional theory
AU Kurt R.Glaesemann and Mark S.Gordon

TE Towards the ab initio determination of strictly diabatic states,
   study for (NaRb){^+}
AU T.Romero, A.Aguilar, and F.X.Gadea

TE On the question of empirical corrections in ab initio model
   chemistries
AU G.N.Merrill and M.S.Gordon

TE The double-funnel energy landscape of the 38-atom Lennard-Jones
   cluster
AU Jonathan P.K.Doye, Mark A.Miller, and David J.Wales

TE A molecular theory of the homogeneous nucleation rate. I:
   Formulation and fundamental issues
AU B.Senger, P.Schaaf, D.S.Corti, R.Bowles, J.-C.Voegel, and H.Reiss

TE A molecular theory of the homogeneous nucleation rate. II:
   Application to argon vapor
AU B.Senger, P.Schaaf, D.S.Corti, R.Bowles, D.Pointu, J.-C.Voegel,
   and H.Reiss

TE Upper and lower bounds for the kinetics of hard-particle
   adsorption
AU Douglas Poland

TE On the calculation of reaction rate constants in the transition
   path ensemble
AU Christoph Dellago, Peter G.Bolhuis, and David Chandler

TE Binary nucleation kinetics. IV. Directional properties and
   cluster concentrations at the saddle point
AU Gerald Wilemski

TE Cooperative diffusion in colloidal mixtures
AU G.Naegele, J.Bergenholtz, and J.K.G.Dhont

TE Analysis of the mechanical behavior of poly(trimethylene
   terephthalate) in an amorphous state under uniaxial
   extension/compression condition through atomistic modeling
AU Seung Soon Jang and Won Ho Jo

TE Nuclear magnetic shielding of noble gases in liquid crystals
AU Mika Ylihautala, Juhani Lounila, and Jukka Jokisaari

TE Determination of hydrodynamic properties in highly charged
   colloidal systems using static and dynamic light scattering
AU W.Haertl, Ch.Beck, and R.Hempelmann

TE Evidence for phase separation during the crystallization of
   hyperquenched glassy clathrate hydrate forming solutions
AU C.A.Tulk, Y.Ba, D.D.Klug, G.McLaurin, and J.A.Ripmeester

TE Nuclear magnetic resonance proton dipolar order relaxation in
   the selectively deuterated nematic para-azoxyanizole
AU O.Mensio, R.C.Zamar, D.J.Pusiol, and S.Becker

TE Path-integral diffusion Monte Carlo: Calculation of observables
   of many-body systems in the ground state
AU Balazs Hetenyi, ERan Rabani, and B.J.Berne

TE Self-consistent-field modelling of complex molecules with united
   atom detail in inhomogeneous systems. Cyclic and branched
   foreign molecules in dimyristoylphosphatidylcholine membranes
AU L.A.Meijer, F.A.M.Leermakers, and J.Lyklema

TE Transient dielectric and birefringence relaxation of a system of
   rigid polar particles in strong dc electric fields
AU Yu.P.Kalmykov and J.L.Dejardin

TE Atomic glasses rearrangement processes
AU Eunji Sim, Alexander Z.Patashinski, and Mark A.Ratner

TE Wetting by polymers of a liquid-liquid interface. Effects of
   short-range interactions and of chain stiffness
AU Marcel C.P.van Eijk and Frans A.M.Leermakers