The Journal of Chemical Physics, 2003, V 119, N 11, September 15.

COMMUNICATIONS

TE Determination of absolute photoionization cross sections for
   vinyl and propargyl radicals
AU Jason C.Robinson, Niels E.Sveum, and Daniel M.Neumark
PP 5311-5314

TE What caliber pore is like a pipe? Nanotubes as modulators of
   ionic gradients
AU Ariel Fernandez
PP 5315-5319

ARTICLES

Theoretical Methods and Algorithms

TE General-model-space state-universal coupled-cluster theory:
   Connectivity conditions and explicit equations
AU Xiangzhu Li and Josef Paldus
PP 5320-5333

TE N-reference, M-state coupled-cluster method: Merging the
   state-universal and reduced multireference coupled-cluster
   theories
AU Xiangzhu Li and Josef Paldus
PP 5334-5345

TE The general-model-space state-universal coupled-cluster method
   exemplified by the LiH molecule
AU Xiangzhu Li and Josef Paldus
PP 5346-5357

TE Density fitting for the decomposition of three-electron
   integrals in explicitly correlated electronic structure theory
AU Seiichiro Ten-no and Frederick R.Manby
PP 5358-5363

TE Multiconfigurational system-bath dynamics using Gaussian wave
   packets: Energy relaxation and decoherence induced by a
   finite-dimensional bath
AU Irene Burghardt, Mathias Nest, and Graham A.Worth
PP 5364-5378

TE Optimal reduced dimensional representation of classical
   molecular dynamics
AU Bijoy K.Dey, H.Rabitz, and Attila Askar
PP 5379-5387

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

TE Kinetics of CH radicals with O_{2}: Evidence for CO
   chemiluminescence in the gas phase reaction
AU Ghanshyam L.Vaghjiani
PP 5388-5396

TE Dissociation of acetaldehyde in intense laser field: Coulomb
   explosion or field-assisted dissociation?
AU Mohamed E.Elshakre, Lirong Gao, Xiaoping Tang, Sufan Wang,
   Yafei Shu, and Fanao Kong
PP 5397-5405

TE Pulsed-field ionization zero electron kinetic energy
   spectroscopy and theoretical calculations of copper complexes:
   Cu-X(CH_{3})_{3} (X=N,P,As)
AU Shenggang Li, Bradford R.Sohnlein, Gretchen K.Rothschopf,
   Jason F.Fuller, and Dong-Sheng Yang
PP 5406-5413

TE Twisted S_{1} excited state geometries in
   4-dimethylaminobenzonitrile and dimethylaniline: New -d_{6}
   origin bands
AU Hiroyuki Saigusa, Naoki Miyakoshi, Chisato Mukai,
   Tomoyoshi Fukagawa, Shigeru Kohtani, Ryoichi Nakagaki, and
   Robert Gordon
PP 5414-5422

TE Success and failure of polarized-ion models: Bending and
   atomization energy of groups 2 and 12 dihalides
AU Kelling J.Donald, Willem H.Mulder, and Laszlo v.Szentpaly
PP 5423-5436

TE Energy levels and wave functions of weakly bound bosonic trimers
   using Pekeris coordinates and a symmetry-adapted Lanczos approach
AU Pierre-Nicholas Roy
PP 5437-5443

TE Vibrational analysis of small H_{n}^{+} hydrogen clusters
AU M.Barbatti and M.A.C.Nascimento
PP 5444-5448

TE Exclusion surfaces for molecules in argon and helium
AU John Bentley
PP 5449-5456

TE Rotational spectroscopic investigation of carbonyl sulfide
   solvated with helium atoms
AU Yunjie Xu and Wolfgang Jaeger
PP 5457-5466

TE High-resolution infrared spectra of carbonyl sulfide solvated
   with helium atoms
AU Jian Tang and A.R.W.McKellar
PP 5467-5477

TE Theoretical simulations on photoexcitation dynamics of the
   silver atom embedded in helium clusters
AU Akira Wada, Toshiyuki Takayanagi, and Motoyuki Shiga
PP 5478-5486

TE Ground state potential energy curves for He-Kr, Ne-Kr, Ar-Kr,
   and Kr_{2}: Coupled-cluster calculations and comparison with
   experiment
AU Terence P.Haley and Slawomir M.Cybulski
PP 5487-5496

TE Conformational analysis of the jet-cooled peptide mimetic
   ethylacetamidoacetate from torsion-rotation spectra
AU R.J.Lavrich, A.R.Hight Walker, D.F.Plusquellic, I.Kleiner,
   R.D.Suenram, J.T.Hougen, and G.T.Fraser
PP 5497-5504

TE Rho-axis-method Hamiltonian for molecules having one methyl
   rotor and C_{1} point-group symmetry at equilibrium
AU Isabelle Kleiner and Jon T.Hougen
PP 5505-5509

TE Interpolated potential energy surface and classical dynamics for
   H_{3}^{+}+HD and H_{3}^{+}+D_{2}
AU Gloria E.Moyano and Michael A.Collins
PP 5510-5517

TE Current density maps, magnetizability, and nuclear magnetic
   shielding tensors of bis-heteropentalenes. I.
   Di-hydro-pyrrolo-pyrrole isomers
AU I.Garcia Cuesta, R.Soriano Jartin, A.Sanchez de Meras, and
   P.Lazzeretti
PP 5518-5526

TE Photodissociation of methyl iodide clusters in the A-band
   excitation: Photofragmentation excitation spectra of
   (CH_{3}I)_{n} by ultraviolet pump-CRD probe measurement
AU Fumiyuki Ito and Taisuke Nakanaga
PP 5527-5533

TE Ab initio calculations of mode selective tunneling dynamics in
   ^{12}CH_{3}OH and ^{13}CH_{3}OH
AU Benjamin Fehrensen, David Luckhaus, Martin Quack,
   Martin Willeke, and Thomas R.Rizzo
PP 5534-5544

TE Theoretical study of ionization potentials and dissociation
   energies of C_{n}^{q+} fullerenes (n=50-60, q=0, 1 and 2)
AU Sergio Diaz-Tendero, Manuel Alcami, and Fernando Martin
PP 5545-5557

TE Intermolecular Hamiltonian for solute-solvent_{n} clusters and
   application to the (1|1) isomer of anthracene-He_{2}
AU Peter M.Felker and Daniel Neuhauser
PP 5558-5569

TE Structural and quantum effects from anionic centers in rare gas
   clusters: The (Ne)_{n}H^{-} and (Ne)_{n+1} systems
AU F.Sebastianelli, I.Baccarelli, C.Di Paola, and F.A.Gianturco
PP 5570-5582

TE An empirical potential energy surface for
   He-Cl_{2}(B ^{3}Pi_{u}) based on a multiproperty fit
AU A.Garcia-Vela
PP 5583-5590

TE Formation of small lanthanum-carbide ions from laser induced
   fragmentation of La@C_{82}
AU A.Lassesson, A.Gromov, K.Mehlig, A.Taninaka, H.Shinohara, and
   E.E.B.Campbell
PP 5591-5600

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

TE Comparison of different propagators in diffusion Monte Carlo
   simulations of noble gas clusters
AU Simone Chiesa, Massimo Mella, Gabriele Morosi, and
   Dario Bressanini
PP 5601-5606

TE Short-range order in linear systems
AU T.T.M.Vo~, L.-J.Chen, and M.Robert
PP 5607-5613

TE Construction of kinetic domains in energy trapping processes and
   application to a photosynthetic light harvesting complex
AU Mino Yang and Graham R.Fleming
PP 5614-5622

TE Partial molar volume and compressibility of a molecule with
   internal degrees of freedom
AU Takashi Imai and Fumio Hirata
PP 5623-5631

TE Infrared spectroscopy of acetone-water liquid mixtures. I.
   Factor analysis
AU Jean-Joseph Max and Camille Chapados
PP 5632-5643

Surfaces, Interfaces, and Materials

TE The dioctadecylamine monolayer: Textures, phase transitions, and
   dendritic growth
AU Ana Flores, Pablo Ize, Salvador Ramos, and Rolando Castillo
PP 5644-5653

TE Oligoazomethine-doped planar tunnel junctions: Correlating
   molecular structure with junction electrical characteristics
AU J.A.M.Dinglasan, A.Shivji, and A.-A.Dhirani
PP 5654-5658

TE The behavior of mixed-metal oxides: Structural and electronic
   properties of Ce_{1-x}Ca_{x}O_{2} and Ce_{1-x}Ca_{x}O_{2-x}
AU Jose A.Rodriguez, Xianqin Wang, Jonathan C.Hanson, Gang Liu,
   Ana Iglesias-Juez, and Marcos Fernandez-Garcia
PP 5659-5669

TE Theoretical studies of the interface between water and Langmuir
   films of aliphatic alcohols
AU David R.Nutt and Anthony J.Stone
PP 5670-5679

TE The relationships between the electronic structures and the
   normal and inverse isotope effects in the electron-phonon
   interactions in charged cubane
AU Takashi Kato and Tokio Yamabe
PP 5680-5689

TE Charge carrier mobility in quasi-one-dimensional systems:
   Application to a guanine stack
AU F.B.Beleznay, F.Bogar, and J.Ladik
PP 5690-5695

Polymers, Biopolymers, and Complex Systems

TE Polymer dynamics in linear mixed flow
AU Arti Dua and Binny J.Cherayil
PP 5696-5700

TE Theory of copolymer micellization
AU Daniel Duque
PP 5701-5704

TE Micellization behavior of pi-shaped copolymers in a selective
   solvent: A Brownian dynamics simulation approach
AU Kwang Hee Kim, Seung Hyun Kim, June Huh, and Won Ho Jo
PP 5705-5710

TE A Landau free energy for diblock copolymers with compressibility
   difference between blocks
AU Junhan Cho
PP 5711-5721

TE Effect of gatekeepers on the early folding kinetics of a model
   beta-barrel protein
AU Antitsa D.Stoycheva, Jose N.Onuchic, and Charles L.Brooks III
PP 5722-5729

TE Influence of monomer molecular structure on the glass transition
   in polymers I. Lattice cluster theory for the configurational
   entropy
AU Karl F.Freed
PP 5730-5739

TE Extremely precise free energy calculations of amino acid side
   chain analogs: Comparison of common molecular mechanics force
   fields for proteins
AU Michael R.Shirts, Jed W.Pitera, William C.Swope, and
   Vijay S.Pande
PP 5740-5761

LETTERS TO THE EDITOR

Notes

TE On the convergence scaling laws of Lanczos and Chebyshev
   recursion methods
AU Rongqing Chen and Hua Guo
PP 5762-5764