The Journal of Chemical Physics, 2002, V 117, N 13, October 1.


TE Electronic confinement of organic molecules in confined spaces: A spectroscopic study of Zn(phen)_{2}(NO_{3})_{2} loaded MCM-41 AU Lei Z.Zhang, Peng Cheng, and Dai-Zheng Liao PP 5959-5962 TE Hyper-Rayleigh scattering from silver nanoparticles AU E.C.Hao, G.C.Schatz, R.C.Johnson, and J.T.Hupp PP 5963-5966 TE Electron stimulated solvation and reaction of water, ammonia, and methane in nanoclusters adsorbed on solid Ar substrate AU Ryutaro Souda PP 5967-5970

Theoretical Methods and Algorithms
TE Wavelet formulation of path integral Monte Carlo AU Art E.Cho, J.D.Doll, and David L.Freeman PP 5971-5977 TE A geminal model chemistry AU Vitaly A.Rassolov PP 5978-5987 TE Semiclassical initial value representation propagation of vibrational wave functions AU Temira Sklarz and K.G.Kay PP 5988-5997 TE Spin-spin coupling tensors by density-functional linear response theory AU Perttu Lantto, Juha Vaara, and Trygve Helgaker PP 5998-6009 TE A density functional study of van der Waals interactions AU Muneaki Kamiya, Takao Tsuneda, and Kimihiko Hirao PP 6010-6015 TE Correspondence between configurational temperature and molecular kinetic temperature thermostats AU Jerome Delhommelle and Denis J.Evans PP 6016-6021 TE Extremal path approach to rate constant calculations by the linearized semiclassical initial value representation AU Zorka Smedarchina and Antonio Fernandez-Ramos PP 6022-6031
Gas Phase Dynamics and Structure: Spectroscopy, Molecular
Interactions, Scattering, and Photochemistry
TE Isotope effects in linear dihydrogen bonded complexes containing LiH AU Sean A.C.McDowell and Toni S.Forde PP 6032-6037 TE Photodissociation of CFX==CHCl (X=H,F) at 193 nm by product translational spectroscopy AU H.S.Ko, Y.R.Lee, C.C.Chen, L.D.Wang, and S.M.Lin PP 6038-6046 TE Charge transfer and nonadiabatic dynamics of diatomic anions in clusters AU Eunseog Cho and Seokmin Shin PP 6047-6053 TE The observation of large changes in the rotational constants of glyoxal in superfluid helium droplets upon electronic excitation AU Nikolas Poertner, J.Peter Toennies, and Andrej F.Vilesov PP 6054-6060 TE Photoinduced reactions in the Mg^{+}-NH_{n}(CH_{3})_{3-n} complex ions: Effect of the methyl substitution AU Wenyue Guo, Haichuan Liu, and Shihe Yang PP 6061-6070 TE Excited states of beryllium atom from explicitly correlated wave functions AU F.J.Galvez, E.Buendia, and A.Sarsa PP 6071-6082 TE Accurate quantum calculations on three-body collisions in recombination and collision-induced dissociation. I. Converged probabilities for the H+Ne_{2} system AU Gregory A.Parker, Robert B.Walker, Brian K.Kendrick, and Russell T Pack PP 6083-6102 TE Should bromoform absorb at wavelengths longer than 300 nm? AU Kirk A.Peterson and Joseph S.Francisco PP 6103-6107 TE Ultrafast photodissociation of Br_{2}: Laser-generated high-harmonic soft x-ray probing of the transient photoelectron spectra and ionization cross sections AU Lora Nugent-Glandorf, Michael Scheer, David A.Samuels, Veronica M.Bierbaum, and Stephen R.Leone PP 6108-6116 TE He^{79}Br_{2} B,v=8<--X,v"=0 excitation spectrum: Ab initio prediction and spectroscopic manifestation of a linear isomer AU Alexei A.Buchachenko, Rita Prosmiti, Carlos Cunha, Gerardo Delgado-Barrio, and Pablo Villarreal PP 6117-6120
Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation
TE Electron spin echo envelope modulation theory for high electron spin systems in weak crystal field AU Andrei V.Astashkin and Arnold M.Raitsimring PP 6121-6132 TE Effective pair potentials in charged molecular systems: Water mediated interactions AU N.Bagatella-Flores and P.Gonzalez-Mozuelos PP 6133-6141 TE Optimal pump-dump control and time-frequency resolved spectroscopy of ground-state wave-packet focusing AU Zhenwen Shen, Volker Engel, Ruixue Xu, Jixin Cheng, and YiJing Yan PP 6142-6147 TE Theoretical and experimental studies of CIDNP kinetics in recombination of radical pairs by the method of switched external magnetic field. III. Free radicals in homogeneous solution AU M.V.Fedin, E.G.Bagryanskaya, P.A.Purtov, T.N.Makarov, and H.Paul PP 6148-6156 TE Interfacial properties deduced from nucleation experiments: A Cahn-Hilliard analysis AU Laszlo Granasy, Tamas Pusztai, and Peter F.James PP 6157-6168 TE Verification of the nucleation theorem for the internally constrained one-dimensional hard rod fluid AU Sudeep Punnathanam and David S.Corti PP 6169-6175 TE H_{2}O-D_{2}O condensation in a supersonic nozzle AU Christopher H.Heath, Kiril Streletzky, Barbara E.Wyslouzil, Judith Woelk, and Reinhard Strey PP 6176-6185 TE Analytical investigations of an electron-water molecule pseudopotential. II. Development of a new pair potential and molecular dynamics simulations AU Laszlo Turi and Daniel Borgis PP 6186-6195 TE Experimental determination of the site-site radial distribution functions of supercooled ultrapure bulk water AU A.Botti, F.Bruni, A.Isopo, M.A.Ricci, and A.K.Soper PP 6196-6199 TE Intraband relaxation and temperature dependence of the fluorescence decay time of one-dimensional Frenkel excitons: The Pauli master equation approach AU M.Bednarz, V.A.Malyshev, and J.Knoester PP 6200-6213 TE General theory for pulse propagation in two-photon active media AU Alexander Baev, Faris Gel'mukhanov, Peter Macak, Yi Luo, and Hans Agren PP 6214-6220 TE Vibrational spectroscopy of a harmonic oscillator system nonlinearly coupled to a heat bath AU Tsuyoshi Kato and Yoshitaka Tanimura PP 6221-6234
Surfaces, Interfaces, and Materials
TE Eley-Rideal abstraction of carbon from graphite by hyperthermal N^{+} ions AU Z.-W.Deng and R.Souda PP 6235-6238 TE Reactive and inelastic scattering dynamics of hyperthermal oxygen atoms on a saturated hydrocarbon surface AU Jianming Zhang, Donna J.Garton, and Timothy K.Minton PP 6239-6251 TE Secondary ions produced by 400 eV He^{+} ion impact on N_{2} and O_{2} thin films at 8 K AU K.Hiraoka, T.Sato, M.Watanabe, K.Mori, and M.Kimura PP 6252-6258 TE Adsorption behavior of Lander molecules on Cu(110) studied by scanning tunneling microscopy AU M.Schunack, F.Rosei, Y.Naitoh, P.Jiang, A.Gourdon, E.Lagsgaard, I.Stensgaard, C.Joachim, and F.Besenbacher PP 6259-6265 TE Ultrathin liquid films under alternating intermolecular potential fields and capillary force AU Kahp Y.Suh and Hong H.Lee PP 6266-6270 TE Grand canonical Monte Carlo simulation of hydration forces between nonorienting and orienting structureless walls AU Tomohiro Hayashi, Alexander J.Pertsin, and Michael Grunze PP 6271-6280 TE Dielectric spectroscopy on the plastically crystalline phase of cyanocyclohexane AU C.Tschirwitz, S.Benkhof, T.Blochowicz, and E.Roessler PP 6281-6288
Polymers, Biopolymers, and Complex Systems
TE Constrained dynamics in supramolecular structures of poly(p-phenylenes) with ethylene oxide side chains: A combined dielectric and nuclear magnetic resonance investigation AU M.Mierzwa, G.Floudas, M.Neidhoefer, R.Graf, H.W.Spiess, W.H.Meyer, and G.Wegner PP 6289-6299 TE Comparison of topological properties between end-linked and statistically cross-linked polymer networks AU W.Michalke, M.Lang, S.Kreitmeier, and D.Goeritz PP 6300-6307 TE Penetrability in model colloid-polymer mixtures AU Matthias Schmidt and Matthias Fuchs PP 6308-6312 TE The global phase diagram of the Gay-Berne model AU Enrique de Miguel and Carlos Vega PP 6313-6322 TE Folding/unfolding kinetics on a semiflexible polymer chain AU T.Sakaue and K.Yoshikawa PP 6323-6330 TE Simulation of crystallization of entangled polymer chains AU Liang Xu, Zhongyong Fan, Hongdong Zhang, and Haishan Bu PP 6331-6335 TE Shear viscosity of a supercooled polymer melt via nonequilibrium molecular dynamics simulations AU F.Varnik and K.Binder PP 6336-6349 TE Shear-induced structure in polymer blends with viscoelastic asymmetry AU E.K.Hobbie, H.S.Jeon, H.Wang, H.Kim, D.J.Stout, and C.C.Han PP 6350-6359 TE Critical lines and phase coexistence of polymer solutions: A quantitative comparison between Wertheim's thermodynamic perturbation theory and computer simulations AU L.G.MacDowell, P.Virnau, M.Mueller, and K.Binder PP 6360-6371 TE Sample size autocorrelation analysis of kinetic data: Resolving reaction path heterogeneity AU R.Murugan PP 6372-6377

TE Comment on "A reaction-path Hamiltonian described with quasirectilinear vibrational coordinates constructed from a nonlinear combination of curvilinear internal coordinates: Application to examination of the reaction CH_{4}+F-->CH_{3}+HF" [J. Chem. Phys., v.113, 3136 (2000)] AU G.Natanson PP 6378-6379
TE Erratum: "Molecular constants and Rydberg-Klein-Rees (RKR) potential curve for the Na_{2} 1 ^{3}Sigma_{g}^{-} state" [J. Chem. Phys., v.111, 3494 (1999)] AU Yaoming Liu, Jian Li, Dieyan Chen, Li Li, Kevin M.Jones, Bing Ji, and Robert J.Le Roy PP 6380