Journal of Chemical Physics, 1999, V 111, N 16, 22 October.

TE A new time-dependent wave operator approach to the internal
   eigenstate problems for large matrices
AU Georges Jolicard, John P.Killingbeck, Alain Grosjean,
   and Jean-Marc Zucconi

TE Styrene and phenylacetylene. Electronic effects of conjugating
   substituents "off" and "on" the axis of a benzene ring
AU Jason W.Ribblett, David R.Borst, and David W.Pratt

TE A theoretical study of the vibrational energy spectrum of the
   HOCl/HClO system on an accurate ab initio poential energy surface
AU Kirk A.Peterson, Sergei Skokov, and Joel M.Bowman

TE The chemiionization of He{^*}(2{^1,3}S) + Ar,Kr,Xe for collision
   energies from 0.003 to 6 eV
AU R.Feltgen, H.Ferkel, R.K.B.Helbing, A.Lindinger, D.Pikorz,
   and H.Vehmeyer

TE A direct method of calculating sensitivity coeffiients of
   chemical kinetics
AU Ji Shen

TE Scattering matrix determination by asymptotic analysis of
   complex scaled resonance wavefuncions: Model Cl+H{_2}
   nonadiabatic dynamics
AU Ronald S.Friedman, Victor M.Ryaboy, and Nimrod Moiseyev

TE Electronic absorption spectrum of cold naphthalene cation in the
   gas phase by photodissociation of its van der Waals complexes
AU Thomas Pino, Nathalie Boudin, and Philippe Brechignac

TE Structure and vibrations of dihydroxybenzene cations and
   ionization potentials of dihydroxyenzenes studied by MATI and
   IR-PIRI spectrocopy as well as ab initio theory
AU M.Gerhards, C.Unterberg, and S.Schumm

TE Crossed beam reaction of cyano radicals with hydrocarbon
   molecules. I. Chemical dynamics of cyanobenzene (C{_6}H{_5}CN;
   X{^1}A{_1}) and perdeutero cyanobenzene (C{_6}D{_5}CN;
   X{^1}A{_1}) formation from reaction of CN(X{^2}{1/2}{^+}) with
   benzene, C{_6}H{_6}(X{^1}A{_1g}), and d{_6}-benzene,
   C{_6}D{_6(X{^1}A{_1g})
AU N.Balucani, O.Asvany, A.H.H.Chang, S.Y.T.Lee, R.I.Kaiser,
   H.F.Bettinger, P.v.R.Schleyer, and H.F.Schaefer III

TE Crossed beam reaction of cyano radicals with hydrocarbon
   molecules. II. Chemical dynamics of 1-cyano-1-methylllene
   (CNCH{_3}CCCH{_2}; X{^1}A') formation from reaction of CN
   (X{^2}&FD}{^+}) with dimethylacetylene,
   CH{_3}CCCH{_3}(X{^1}A{_1}')
AU N.Balucani, O.Asvany, A.H.H.Chang, S.H.Lin, Y.T.Lee, R.I.Kaiser,
   H.F.Bettinger, P.v.R.Schleyer, and H.F.Schaefer III

TE Transition probabilities and electronic transition moments of
   the A{^2}{SIGMA}{^+} - X{^2}{PI} and D{^2}{SIGMA}{^+} -X{^2}{PI}
   systems of nitric oxide
AU Jorge Luque and David R.Crosley

TE Competition of different ionization pathways in K{_2} studied by
   ultrafast pump-probe spectroscopy: A comparison between theory
   and experiment
AU C.Nicole, M.A.Bouchene, C.Meier, S.Magnier, E.Schreiber,
   and B.Girard

TE Stochastic-trajectories and non-Poisson kinetics in
   single-molecule spectroscopy
AU Vladimir Chernyak, Michael Schulz and Shaul Mukamel

TE Ultrafast photodissociation studies of acetyl cyanide and acetic
   acid and unimolecular deomposition rates of the acetyl radical
   products
AU J.C.Owrutsky and A.P.Baronavski

TE Infrared spectrum and energy levels of the CO dimer: Evidence
   for two almost isoenergetic isomers
AU Matthew D.Brookes and A.R.W.McKellar

TE Master equation analysis of intermolecular energy transfer in
   multiple-well, multiple channel uniolecular reactions. II.
   Numerical methods and application to the mechanism of the
   C{_2}H{_5}+O{_2} reaction
AU Prasana K.Venkatesh, Anthony M.Dean, Morrel H.Cohen,
   and Robert W.Carr

TE Development and experimental verification of a theory for
   high-field, ultralow-temperature magnetic linear dichroism of
   glasses containing molecular chromophores with spin doublet
   ground states
AU Emile L.Bominaar and Jim Peterson

TE General formulation of the vibrational kinetic energy operator
   in internal valence-bondngle coordinates
AU John H.Frederick and Clemens Woywod

TE Proton polarization transfer in a ring system
AU A.K.Khitrin and B.M.Fung

TE Theoretical studies of rotation induced Fermi resonances in HOC1
AU Rongqing Chen, Hua Guo, Sergei Skokov, and Joel M.Bowman

TE The CO product of the reaction of O({^3}P) with CH{_3} radicals
AU Zhiyuan Min, Robert W.Quandt, Teh-Hwa Wong, and Richard Bersohn

TE Vibrational state-resolved study of the O{^-} + H{_2} reaction:
   Isotope effects on the product energy partitioning
AU Susan Troutman Lee and James M.Farrar

TE Iterative and direct methods employing distributed approximating
   functionals for the reconstruction of a potential energy surface
   from its sampled values
AU Viktor Szalay

TE Non-dissociative low-energy electron attachment to c-C{_7}F{_14}
   and C{_6}F{_6}: Intermediate lifetimes
AU C.D.Finch, R.Parthasarathy, S.B.Hill, and F.B.Dunning

TE Structural evolution of W nano clusters with increasng cluster
   size
AU S.J.Oh, S.H.Huh, H.K.Kim, J.W.Park, and G.H.Lee

TE State-to-state unimolecular reaction dynamics of HOCl near the
   dissociation threshold: The role of vibrations, rotations and
   IVR probed by time and eigenstate-resolved spectroscopy
AU A.Callegari, J.Rebstein, R.Jost, and T.R.Rizzo

TE Numerical implementation of a mixed quantum classical rate theory
AU Jie-Lou Liao and Eli Pollak

TE Some fundamental statistical mechanical relations concerning
   physical clusters of interest to nucleaion theory
AU Howard Reiss and Richard K.Bowles

TE Nonlinear optical properties of push-pull stilenes based on a
   strong carbocation acceptor moiety
AU Barbara Paci, Claudia Schmidt, Celine Fiorini,
   Jean-Michel Nunzi, Cecile Arbez-Gindre,
   and Constantinos G.Screttas

TE Determination of equilibrium properties of biomolecular systems
   using multi-dimensional adaptive umbrella sampling
AU Christian Bartels, Michael Schaefer, and Martin Karplus

TE Nematic contact lines and the Neumann and Young equations for
   liquid crystals
AU Alejandro D.Rey

TE Simulation of muonium formation in liquid hydroarbons
AU Laurens D.A.Siebbeles, Simon M.Pimblott, and Stephen F.J.Cox

TE Simulation of a free energy upper bound, based on the
   anti-correlation between an approximate free energy functional
   and its fluctuation
AU Hagai Meirovitch

TE On the effect of Lennard-Jones parameters on the quantum
   mechanical and molecular mechanical coupling in a hybrid
   molecular dynamics simulation of liquid water
AU Yaoquan Tu and Aatto Laaksonen

TE Simulation of a single polymer chain in solution by combining
   lattice Boltzmann and molecular dynamics
AU Patrick Ahlrichs and Burkhard Duenweg

TE Variational non-equilibrium thermodynamics of reaction-diffusion
   systems. I. The informaion potential
AU Bernard Gaveau, Michel Moreau, and Janos Toth

TE Variational non-equilibrium thermodynamics of reaction-diffusion
   systems. II. Path interals, large fluctuations and rate constants
AU Bernard Gaveau, Michel Moreau, and Janos Toth

TE Interaction-induced pair hyperpolarizabilities by spherical
   irreducible tensors
AU Tadeusz Bancewicz