Journal of Chemical Physics, 2000, V 112, N 1, 1 Jan.

TE On the application of canonical perturbation theory to floppy
   molecules
AU Dominique Sugny and Marc Joyeux

TE A combined reaction class approach with integrated molecular
   orbital + molecular orbital (IMOMO) mehodology: A practical tool
   for kinetic modeling
AU Thanh N.Truong, Dilip K.Maity, and Thanh-Thai T.Truong

TE Autoionization-detected infrared spectroscopy of intramolecular
   hydrogen bonds in aromatic cations. II. Unconventional
   intramolecular hydrogen bonds
AU Eiji Fujimaki, Asuka Fujii, Takayuki Ebata, and Naohiko Mikami

TE Collisional effects on spectral line shape from the Doppler to
   the collisional regime: A rigorous test of a unified model
AU F.Chaussard, X.Michaut, R.Saint-Loup, H.Berger, P.Joubert,
   B.Lance, J.Bonamy, and D.Robert

TE Effects of reagent rotation and the accuracy of the centrifugal
   sudden approximation in the H{_2} + CN reaction
AU Dong H.Zhang and Soo-Y.Lee

TE Combined iterative diagonalisation and statistical sampling in
   accurate reaction rate calculations: Rotational effects in O +
   HCl --> OH + Cl
AU Frank Matzkies and Uwe Manthe

TE Photodissociation of hydrogen halides in rare gas matrices and
   the effect of hydrogen bonding
AU Martin Lorenz, Dieter Kraus, Markku Rasanen,
   and Vladimir E.Bondybey

TE The rotational spectrum of single OCS molecules in liquid {^4}He
   droplets
AU Slava Grebenev, Matthias Hartmann, Martina Havenith,
   Boris Sartakov, J.Peter Toennies, and Andrei F.Vilesov

TE Saddle-node bifurcations in the spectrum of HOCl
AU J.Wei{beta}, J.Hauschildt, S.Yu.Grebenshchikov, R.Duren,
   R.Schinke, J.Koput, S.Stamatiadis, and S.C.Farantos

TE Laser driven ground state photodissociation of HCo(CO){_4}: An
   ab initio quantum molecular dyamics approach
AU Ann E.Orel, Yi Zhao, and Oliver Kuhn

TE Charge transfer and chemical reaction dynamics in hyperthermal
   O{^+} + NO collisions
AU Dale J.Levandier, Yu-hui Chiu, and Rainer A.Dressler

TE Molecular parameters for {^12}C and {^13}C-methanol isotopomers
   with O-16, 17 and 18
AU Yun-Bo Duan, Anne B.McCoy, Li Wang, and Kojiro Takagi

TE Quantum dynamics of the O({^3}P)+CH{_4} --> OH+CH{_3} reaction:
   An application of the rotating bond umbrella model and spectral
   transform subspace iteration
AU Hua-Gen Yu and Gunnar Nyman

TE Forward-backward initial value representation for the
   calculation of thermal rate constants for rections in complex
   molecular systems
AU Haobin Wang, Michael Thoss, and William H.Miller

TE Erratum: Cross section and asymmetry parameter calculation for
   sulfur 1s photoionization of SF{_6} [J. Chem. Phys. 111, 5344
   (1999)]
AU Alexandra P.P.Natalense and Robert R.Lucchese

TE Charge transfer to solvent (CTTS) energies of small
   X{^-}(H{_2}O){_n=1-4} (X=F,Cl,Br,I) clusters: Ab initio study
AU D.Majumdar, Jongseob Kim, and Kwang S.Kim

TE Global ab initio potential energy surfaces for the ClH{_2}
   reactive system
AU Wensheng Bian and Hans-Joachim Werner

TE Nonadditive three-body polarizabilities of moleules interacting
   at long range: Theory and nuerical results for the inert gases,
   H{_2},N{_2}, CO{_2}, and CH{_4}
AU M.H.Champagne, X.Li, and K.L.C.Hunt

TE Nuclear magnetic shielding in the acetylene isoopomers
   calculated from correlated shielding surfaces
AU Richard D.Wigglesworth, William T.Raynes, Sheela Kirpekar,
   Jens Oddershede, and Stephen P.A.Sauer

TE Energy gradients and effective density differences in electron
   propagator theory
AU J.V.Ortiz

TE Electronic structure of polyglycine as a function of proton
   position
AU I.A.Howard and M.Springborg

TE A fast ab initio model for the calculation of exited electronic
   states of atoms and molecules in a weakly polarizable
   environment. I. Theory
AU Christian F.Kunz and Bernd A.He{beta}

TE A fast ab initio model for the calculation of exited states of
   atoms and molecules in a weakly polarizable environment. II.
   Application to the spectrum of cessium in liquid helium
AU Christian F.Kunz and Bernd A.He{beta}

TE Ab initio study of (NH{_3}){_2}: Accurate structure and
   energetics
AU Jae Shin Lee and Sun Yong Park

TE Perturbation theory of three-body exchange nondditivity and
   application to helium trimer
AU Victor F.Lotrich and Krzysztof Szalewicz

TE Application of time-dependent density-functional theory to the
   {^3}{SIGMA}{_u}{^-} first excited state of H{_2}
AU Zheng-Li Cai and Jeffrey R.Reimers

TE Experimental and theoretical anharmonicity for benzene using
   density functional theory
AU Andrea Miani, Elisabetta Cane, Paolo Palmieri,
   Agostino Trombetti, and Nicholas C.Handy

TE Ab initio configuration interaction study of the predissociation
   of the (4s), (4p{sigma}) {^1,3}{PI} and (4p{pi}) {^3}{SIGMA}{^+}
   Rydberg states of HCl and DCl
AU Yan Li, Ota Bludsky, Gerhard Hirsch, and Robert J.Buenker

TE The Hartree product and the description of local and global
   quantities in atomic systems: A study within Kohn-Sham theory
AU Jorge Garza, Jeffrey A.Nichols, and David A.Dixon

TE Supercooling and transient phase induced nucleation in n-alkane
   solutions
AU E.B.Sirota

TE Molecular dynamics simiulations with constrained
   roto-translational motions: Theoretical basis and statistical
   mechanical consistency
AU A.Amadei, G.Chillemi, M.A.Ceruso, A.Grottesi, and A.Di Nola

TE A small system ensemble Monte Carlo simulation of supersaturated
   vapor: Evaluation of barrier to nucleation
AU K.J.Oh and X.C.Zeng

TE Solubilities of small molecules in polyethylene evaluated by a
   test-particle-insertion method
AU Mitsuhiro Fukuda

TE Quantum Monte Carlo study of the H{^-} impurity in small helium
   clusters
AU Mose Casalegno, Massimo Mella, Gabriele Morosi,
   and Dario Bressanini

TE Integral equation theory for polyelectrolyte soluions containing
   counterions and coions
AU Ludger Harnau and Peter Reineker

TE Molecular dynamics simulation of limiting conducances for LiCl,
   NaBr, and CsBr in supercritical water
AU S.H.Lee and P.T.Cummings

TE Gated escaping of ligand out of protein
AU Sheh-Yi Sheu and Dah-Yen Yang

TE Liquid crystal phase transitions in clusters of spherocylinders
AU Alison Casey and Peter Harrowell

TE Test of a simple and flexible molecule model for {alpha}-,
   {beta}- and {gamma}-S{_8} crystals
AU C.Pastorino and Z.Gamba

TE Pattern formation in a thin random copolymer film: Evolution of
   an intermediate morphology
AU J-L.Masson and P.F.Green

TE Kinetics study on the hydrogen atom-induced abstracion and
   associative desorption of deuterium adatoms from the Si(100)
   surface at 573K
AU S.Shimokawa, A.Namiki, T.Ando, Y.Sato, and J.Lee

TE Electron-hole pair excitation in molecule-surface collisions
AU Gert D.Billing