The Journal of Chemical Physics, 2002, V 117, N 16, 22 October.

COMMUNICATIONS

TE Vesicle adsorption on SiO_{2} and TiO_{2}: Dependence on vesicle size
AU Erik Reimhult, Fredrik Hoeoek, and Bengt Kasemo
PP 7401-7404

TE Born-Oppenheimer invariants along nuclear configuration paths
AU Roi Baer
PP 7405-7408

ARTICLES

Theoretical Methods and Algorithms
TE Quantum dynamics for dissipative systems: A hydrodynamic
perspective
AU Irene Burghardt and Klaus B.Moller
PP 7409-7425

TE Breakdown of the singlet and triplet nature of electronic states
of the superheavy element 114 dihydride (114H_{2})
AU K.Balasubramanian
PP 7426-7432

TE Adiabatic time-dependent density functional methods for excited
state properties
AU Filipp Furche and Reinhart Ahlrichs
PP 7433-7447

TE Optimal series representations for numerical path integral
simulations
AU Cristian Predescu and J.D.Doll
PP 7448-7463

TE Extensivity and the contracted Schroedinger equation
AU John M.Herbert and John E.Harriman
PP 7464-7471

TE Numerical canonical transformation approach to quantum many-body
problems
AU Steven R.White
PP 7472-7482

Gas Phase Dynamics and Structure: Spectroscopy,
Molecular Interactions, Scattering, and Photochemistry

TE Photodissociation of carbonic dibromide at 267 nm: Observation
of three-body dissociation and molecular elimination of Br_{2}
AU Dadong Xu, Jianhua Huang, Joseph S.Francisco, Jaron C.Hansen,
and William M.Jackson
PP 7483-7490

TE Predissociations in 0_{u}^{+} and 1_{g} states of K_{2}
AU T.Bergeman, P.S.Julienne, C.J.Williams, E.Tiesinga, M.R.Manaa,
H.Wang, P.L.Gould, and W.C.Stwalley
PP 7491-7505

TE Geometry optimization of triply charged yttrium-doped helium
clusters: He_{n}Y^{3+}
AU Ralf Wesendrup, Gloria Esperenza Moyano, Markus Pernpointner,
and Peter Schwerdtfeger
PP 7506-7511

TE Calculation of the energy levels of weakly bound molecular
trimers: Application to (H_{2})_{3}
AU Luis S.Costa and David C.Clary
PP 7512-7519

TE Energetics of the manganese trimer and tetramer ions
AU Akira Terasaki, Shinichirou Minemoto, and Tamotsu Kondow
PP 7520-7524

TE A combined nuclear dynamics and electronic study of the coupling
between the internal rotation of the methyl group and the
intramolecular proton transfer in 5-methyltropolone
AU Oriol Vendrell, Miquel Moreno, and Jose M.Lluch
PP 7525-7533

TE Two-electron pseudopotential investigation of the electronic
structure of the CaAr molecule
AU F.Spiegelman, L.Maron, W.H.Breckenridge, J.-M.Mestdagh, and
J.-P.Visticot
PP 7534-7550

TE Photodissociation of the methane-argon complex. I. Ab initio
intermolecular potential depending on the methane vibrational
coordinates
AU Michel Geleijns, Paul E.S.Wormer, and Ad van der Avoird
PP 7551-7561

TE Photodissociation of the methane-argon complex. II. Vibrational
predissociation dynamics, spectral linewidths and fragment state
distributions
AU Michel Geleijns, Ad van der Avoird, Paul E.S.Wormer, and
Nadine Halberstadt
PP 7562-7574

TE Dipole and rotational strengths for overtone transitions of a
ld-script C]_{2}-symmetry HCCH molecular fragment using Van
Vleck perturbation theory
AU Sergio Abbate, Roberto Gangemi, and Giovanna Longhi
PP 7575-7586

TE High resolution C1s and S2p photoelectron spectra of thiophene
AU A.Giertz, M.Baessler, O.Bjoerneholm, H.Wang, R.Feifel, C.Miron,
L.Karlsson, S.Svensson, K.J.Borve, and L.J.Sathre
PP 7587-7592

TE Structure and property of glycine's derivatives bound by
multications (H^{+}, Li^{+}, and Na^{+}): A theoretical study
AU Hongqi Ai, Yuxiang Bu, and Keli Han
PP 7593-7602

TE Classical and quasi-classical trajectory calculations of isotope
exchange and ozone formation proceeding through O+O_{2} collision complexes
AU Thomas A.Baker and Gregory I.Gellene
PP 7603-7613

TE A five-dimensional quantum mechanical study of the
H+CH_{4}-->H_{2}+CH_{3} reaction
AU Henrik Szichman and Roi Baer
PP 7614-7623

Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation

TE Volume effects on the molecular mobility close to glass
transition in supercooled phenylphthalein-dimethylether. II
AU Marian Paluch, Riccardo Casalini, Andreas Best, and Adam Patkowski
PP 7624-7630

TE A theoretical study on decomposition of formic acid in sub- and
supercritical water
AU Takuma Yagasaki, Shinji Saito, and Iwao Ohmine
PP 7631-7639

TE Reversible charge separation through exciplex formation
AU A.I.Burshtein
PP 7640-7648

Surfaces, Interfaces, and Materials

TE Lattice spring model of filled polymers and nanocomposites
AU Gavin A.Buxton and Anna C.Balazs
PP 7649-7658

TE Molecular dynamics simulations of the liquid-vapor interface of
a molten salt. III. Size asymmetry effects and binary mixtures
AU Andres Aguado and Paul A.Madden
PP 7659-7668

TE Interactions of a conjugated molecular diode with small metal
clusters of Cu, Ag, and Au: First-principles calculations
AU Chiranjib Majumder, Tina Briere, Hiroshi Mizuseki, and
Yoshiyuki Kawazoe
PP 7669-7675

TE New lambda integration method to compute surface free energies
of disordered surfaces
AU Gregory Grochola, Salvy P.Russo, Ian K.Snook, and Irene Yarovsky
PP 7676-7684

TE Universal simulation method to compute surface and interfacial
free energies of disordered solids
AU Gregory Grochola, Salvy P.Russo, Ian K.Snook, and Irene Yarovsky
PP 7685-7690

TE Dimensional changes as a function of charge injection for
trans-polyacetylene: A density functional theory study
AU Guangyu Sun, Jeno Kuerti, Miklos Kertesz, and Ray H.Baughman
PP 7691-7697

TE Semirigid vibrating rotor target model for CH_{4} dissociation
on a Ni(111) surface
AU Yun Xiang, John Z.H.Zhang, and Dun Y.Wang
PP 7698-7704

TE Tilting phase transition of amphiphile monolayers at the
air-water interface: Physically reasoning phase portion in a
phase diagram
AU Mitsumasa Iwamoto and Zhong-can Ou-Yang
PP 7705-7711

TE Electron solvation in aqueous reverse micelles: Equilibrium
properties
AU Daniel Laria and Raymond Kapral
PP 7712-7718

TE Layering and orientational ordering of propane on graphite: An
experimental and simulation study
AU Xiongce Zhao, Seokjoon Kwon, Radisav D.Vidic, Eric Borguet, and
J.Karl Johnson
PP 7719-7731

TE Effect of shape on the critical nucleus size in a
three-dimensional Ising model: Energetic and kinetic approaches
AU Gersh O.Berim and Eli Ruckenstein
PP 7732-7737

TE Surface relaxation in liquid water and methanol studied by x-ray
absorption spectroscopy
AU Kevin R.Wilson, R.D.Schaller, D.T.Co, R.J.Saykally,
Bruce S.Rude, T.Catalano, and J.D.Bozek
PP 7738-7744

TE Lubricated friction and volume dilatancy are coupled
AU A.Levent Demirel and S.Granick
PP 7745-7750

Polymers, Biopolymers, and Complex Systems

TE Rotational dynamics of charged colloidal spheres: Role of
particle interactions
AU Gijsberta H.Koenderink, M.Pavlik Lettinga, and Albert P.Philipse
PP 7751-7764

TE The thermodynamics of reversible cyclization in semiflexible
polymers
AU Arti Dua and Binny J.Cherayil
PP 7765-7773

TE Pressure and temperature dependence of the melt segmental
dynamics of cis-1,4-polyisoprene via time resolved optical
spectroscopy
AU B.J.Punchard and D.B.Adolf
PP 7774-7780

TE Potential of mean force between a spherical particle suspended
in a nematic liquid crystal and a substrate
AU Evelina B.Kim, Roland Faller, Qiliang Yan, Nicholas L.Abbott,
and Juan J.de Pablo
PP 7781-7787

TE Landau model of the smectic C-isotropic phase transition
AU Prabir K.Mukherjee, Harald Pleiner, and Helmut R.Brand
PP 7788-7792

TE Study of dynamics of anisotropic vibrational energy migration in
dendrimer macromolecule by using a classical oscillator model
AU Keita Nishioka and Masato Suzuki
PP 7793-7801

TE Computer simulations of hyperbranched polymers: The influence of
the Wiener index on the intrinsic viscosity and radius of gyration
AU Peter F.Sheridan, David B.Adolf, Alexey V.Lyulin, Igor Neelov,
and Geoffrey R.Davies
PP 7802-7812

LETTERS TO THE EDITOR

Notes

TE Relativistic Gaussian basis sets for molecular calculations: Cs-Hg
AU Toshikatsu Koga, Hiroshi Tatewaki, and Osamu Matsuoka
PP 7813-7814

Errata

TE Erratum: "Boundary conditions and trajectories of diffusion
processes" [J. Chem. Phys., v.117, 2469 (2002)]
AU Mark F.Schumaker
PP 7815

TE Publisher's Note: "Ab initio molecular dynamics simulation of
the H/InP(100)-water interface" [J. Chem. Phys., v.117, 872 (2002)]
AU Narayanan Gayathri, Sergei Izvekov, and Gregory A.Voth
PP 7816