Journal of Chemical Physics, 2004, V 121, N 16, October 22.

TE On the influence of the water electrostatic field
    on the amide  group vibrational frequencies
AU Petr Bour
PP 7545-7548

TE Bound state spectroscopy of NH-He
AU Galina Kerenskaya, Udo Schnupf, Michael C.Heaven, and
   Ad van der Avoird
PP 7549-7552

TE Coexistence of two different anion states in polyacene
   nanocluster anions
AU Masaaki Mitsui, Shinsuke Kokubo, Naoto Ando, 
    Yukino Matsumoto,   Atsushi Nakajima, and Koji Kaya
PP 7553-7556

TE Optimal linearized Poisson-Boltzmann theory applied to the
   simulation of flexible polyelectrolytes in solution
AU M.Bathe, A.J.Grodzinsky, B.Tidor, and G.C.Rutledge
PP 7557-7561

TE Hydrogen bond mediated rotor-ring coupling in acetic
   acid-benzoic acid mixed dimer
AU Chayan K.Nandi, Montu K.Hazra, and Tapas Chakraborty
PP 7562-7564

TE Quantum-classical limit of quantum correlation functions
AU Alessandro Sergi and Raymond Kapral
PP 7565-7576

TE Accuracy of gates in a quantum computer based
     on vibrational  eigenstates
AU Dmitri Babikov
PP 7577-7585

TE Accurate calculation of core-electron binding energies:
   Multireference perturbation treatment
AU Soichi Shirai, Satoru Yamamoto, and Shi-aki Hyodo
PP 7586-7594

TE Calculations of static and dynamic polarizabilities of excited
   states by means of density functional theory
AU Branislav Jansik, Dan Jonsson, Pawel Salek, and Hans Agren
PP 7595-7600

TE Spectral implementation of some quantum algorithms by one- and
   two-dimensional nuclear magnetic resonance
AU Ranabir Das and Anil Kumar
PP 7601-7613

TE Density functional theory for hyperfine coupling constants with
   the restricted-unrestricted approach
AU Zilvinas Rinkevicius, Lyudmyla Telyatnyk, Olav Vahtras, and
   Hans Agren
PP 7614-7623

TE Triplet instability in doublet systems
AU Peter G.Szalay, Juana Vazquez, Chris Simmons, 
      and John F.Stanton
PP 7624-7631

TE The behavior of density functionals with respect to basis set.
   I. The correlation consistent basis sets
AU Nick X.Wang and Angela K.Wilson
PP 7632-7646

TE Multiscale quantum propagation using compact-support wavelets in
   space and time
AU Haixiang Wang, Ramiro Acevedo, Heather Molle, Jeffrey L.Mackey,
   James L.Kinsey, and Bruce R.Johnson
PP 7647-7657

TE Coherent switching with decay of mixing: An improved treatment
   of electronic coherence for non-Born-Oppenheimer trajectories
AU Chaoyuan Zhu, Shikha Nangia, Ahren W.Jasper, and 
      Donald G.Truhlar
PP 7658-7670

TE Correlation energy of many-electron systems: A modified
   Colle-Salvetti approach
AU Sebastien Ragot and Pietro Cortona
PP 7671-7680

TE Quantum wave-packet dynamics of H+HLi scattering: 
    Reaction cross  section and thermal rate constant
AU R.Padmanaban and S.Mahapatra
PP 7681-7691

TE Photoelectron spectroscopy and density functional theory of
   puckered ring structures of Group 13 metal-ethylenediamine
AU Shenggang Li, Jason F.Fuller, Xu Wang, Bradford R.Sohnlein,
   Paragranjita Bhowmik, and Dong-Sheng Yang
PP 7692-7700

TE Evolution spectrum of C_{60} isomers in buffer gas
AU Peng Li and Xi-Jing Ning
PP 7701-7707

TE Radial subshell splittings and double-zeta functions in
   many-electron atoms
AU Toshikatsu Koga and Hisashi Matsuyama
PP 7708-7710

TE New approximations for calculating dispersion coefficients
AU Slawomir M.Cybulski and Terence P.Haley
PP 7711-7716

TE The nonmetallicity of molybdenum clusters
AU Wenqin Zhang, Xiaorong Ran, Haitao Zhao, and Lichang Wang
PP 7717-7724

TE A three-dimensional He-NaH potential energy surface for
   rovibrational energy transfer studies
AU Brian K.Taylor
PP 7725-7734

TE Electronic spectra of iron monohydride in the infrared near 1.35
   and 1.58 xm
AU Walter J.Balfour, John M.Brown, and Lloyd Wallace
PP 7735-7742

TE Calculated optical and magnetic properties of
      hexafluorouranate   (V) anion: UF_{6}^{-}
AU Ramiro Arratia-Perez, Lucia Hernandez-Acevedo, 
      and  Gulzari L.Malli
PP 7743-7747

TE A mass spectrometric and density functional study of the
   intermetallic molecules AuBe, AuMg, and AuCa
AU G.Balducci, A.Ciccioli, and G.Gigli
PP 7748-7755

TE Structural and electronic properties of Si_{n}, Si_{n}^{+}, and
   AlSi_{n-1} (n=2-13) clusters: Theoretical investigation based on
   ab initio molecular orbital theory
AU Sandeep Nigam, Chiranjib Majumder, and S.K.Kulshreshtha
PP 7756-7763

TE Effect of absolute laser phase on reaction paths in
   laser-induced chemical reactions
AU Andre D.Bandrauk, El-Wallid S.Sedik, and Cherif F.Matta
PP 7764-7775

TE Dissociative multiphoton ionization of NO_{2} studied by
   time-resolved imaging
AU Andre T.J.B.Eppink, Benjamin J.Whitaker, Eric Gloaguen,
   Benoit Soep, A.Marcela Coroiu, and David H.Parker
PP 7776-7783

TE Vibrational dynamics of medium strength hydrogen bonds: Fourier
   transform infrared spectra and band contour analysis of the DF
   stretching region of (CH_{2})_{2}S-DF
AU M.Goubet, P.Asselin, P.Soulard, M.Lewerenz, and Z.Latajka
PP 7784-7794

TE The acidity of tert-butyl alcohol in near- and supercritical
   water: A polarizable continuum approach
AU Luminita C.Jitariu, Andrew J.Masters, and Ian H.Hillier
PP 7795-7802

TE Spectroscopic identification of the CO-H_{2}O 2-1 cluster
   trapped in an argon matrix
AU Hisashi Abe and Koichi M.T.Yamada
PP 7803-7812

TE The effects of connectivity, coherence, and trapping on energy
   transfer in simple light-harvesting systems studied using the
   Haken-Strobl model with diagonal disorder
AU Kevin M.Gaab and Christopher J.Bardeen
PP 7813-7820

TE Nucleation near the spinodal: Limitations of mean field density
   functional theory
AU Gerald Wilemski and Jin-Song Li
PP 7821-7828

TE Identifiability analysis of models for reversible intermolecular
   two-state excited-state processes coupled with species-dependent
   rotational diffusion monitored by time-resolved fluorescence
   depolarization
AU Jacek P.Szubiakowski, Robert E.Dale, Noeel Boens, and
   Marcel Ameloot
PP 7829-7839

TE Ions in water: The microscopic structure of a concentrated HCl
   solution
AU A.Botti, F.Bruni, S.Imberti, M.A.Ricci, and A.K.Soper
PP 7840-7848

TE Phonons in suspensions of hard sphere colloids: Volume fraction
   dependence
AU H.Kriegs, G.Petekidis, G.Fytas, R.S.Penciu, E.N.Economou, and
   A.B.Schofield
PP 7849-7854

TE Water motion in reverse micelles studied by quasielastic neutron
   scattering and molecular dynamics simulations
AU Michael R.Harpham, Branka M.Ladanyi, Nancy E.Levinger, and
   Kenneth W.Herwig
PP 7855-7868

TE Decay of correlation functions in hard-sphere mixtures:
   Structural crossover
AU C.Grodon, M.Dijkstra, R.Evans, and R.Roth
PP 7869-7882

TE Theoretical study of the local structure and Raman spectra of
   CaO-SiO_{2} binary melts
AU Yong Quan Wu, Guo Chang Jiang, Jing Lin You, Huai Yu Hou,
   Hui Chen, and Kuang Di Xu
PP 7883-7895

TE Finite concentration effects on diffusion-controlled reactions
AU Sanjib Senapati, Chung F.Wong, and J.Andrew McCammon
PP 7896-7900

TE One-, two-, and three-photon absorption induced fluorescence of
   a novel chromophore in chloroform solution
AU Yuxiao Wang, Oliver Y.-H.Tai, C.H.Wang, and Alex K.-Y.Jen
PP 7901-7907

TE Libration induced stretching mode excitation for pump-probe
   spectroscopy in pure liquid water
AU Wafa Amir, Guilhem Gallot, and Francois Hache
PP 7908-7913

TE Single molecule photon emission statistics in the slow
   modulation limit
AU Yujun Zheng and Frank L.H.Brown
PP 7914-7925

TE Melting points and thermal expansivities of proton-disordered
   hexagonal ice with several model potentials
AU Yuji Koyama, Hideki Tanaka, Guangtu Gao, and X.C.Zeng
PP 7926-7931

TE Why hyperpolarizabilities fall short of the fundamental quantum
   limits
AU Kakoli Tripathy, Javier Perez Moreno, Mark G.Kuzyk,
   Benjamin J.Coe, Koen Clays, and Anne Myers Kelley
PP 7932-7945

TE Adsorption and dissociation of NO on stepped Pt (533)
AU Ellen H.G.Backus, Andreas Eichler, Mihail L.Grecea,
   Aart W.Kleyn, and Mischa Bonn
PP 7946-7954

TE Electric field and temperature effects on water in the narrow
   nonpolar pores of carbon nanotubes
AU Subramanian Vaitheeswaran, Jayendran C.Rasaiah, and
   Gerhard Hummer
PP 7955-7965

TE Competitive interaction between two different spherical sinks
AU Nyree McDonald and William Strieder
PP 7966-7972

TE Raman-scattering elucidation of the giant isotope effect in
   hydrogen-ion blistering of silicon
AU O.Moutanabbir and B.Terreault
PP 7973-7986

TE Lattice-Boltzmann simulation of coalescence-driven island
   coarsening
AU Hakan Basagaoglu, Christopher T.Green, Paul Meakin, and
   Benjamin J.McCoy
PP 7987-7995

TE Equilibrium and kinetics: Water confined in carbon nanotubes as
   one-dimensional lattice gas
AU Xin Zhou, Cheng-Quan Li, and Mitsumasa Iwamoto
PP 7996-8002

TE Temperature dependence of the structure of Langmuir films of
   normal-alkanes on liquid mercury
AU H.Kraack, B.M.Ocko, P.S.Pershan, L.Tamam, and M.Deutsch
PP 8003-8009

TE Self-directed growth of benzonitrile line on H-terminated
   Si(001) surface
AU Jung-Yup Lee and Jun-Hyung Cho
PP 8010-8013

TE Simulations of stable pores in membranes: System 
     size dependence  and line tension
AU T.V.Tolpekina, W.K.den Otter, and W.J.Briels
PP 8014-8020

TE Nucleation in cylindrical capillaries
AU B.Husowitz and V.Talanquer
PP 8021-8028

TE Hybrid atomistic-coarse-grained treatment of 
     thin-film  lubrication. II
AU Z.-B.Wu, D.J.Diestler, and X.C.Zeng
PP 8029-8038

TE Laser pulse control of ultrafast heterogeneous electron
   transfer: A computational study
AU Luxia Wang and Volkhard May
PP 8039-8049

TE Green's function formalism coupled with Gaussian
      broadening of   discrete states for quantum transport: 
      Application to atomic and  molecular wires
AU Tomofumi Tada, Masakazu Kondo, and 
      Kazunari Yoshizawa
PP 8050-8057

TE Molecular beam investigation of hydrogen 
     dissociation on Si(001)  and Si(111) surfaces
AU M.Duerr and U.Hoefer
PP 8058-8067

TE Tacticity effects on the barriers to rotation of the ester
   methyl group in poly (methyl methacrylate):
   A deuteron magnetic   resonance study
AU P.M.Cereghetti, R.Kind, and J.S.Higgins
PP 8068-8078

TE Molecular theory of dielectric relaxation in nematic dimers
AU M.Stocchero, A.Ferrarini, G.J.Moro, D.A.Dunmur, 
      and G.R.Luckhurst
PP 8079-8097

TE Kinetics of polymer translocation through a pore
AU Akihiko Matsuyama
PP 8098-8103

TE Transcription-driven twin supercoiling of a DNA loop: 
      A Brownian   dynamics study
AU Steven P.Mielke, William H.Fink, V.V.Krishnan,
   Niels Gronbech-Jensen, and Craig J.Benham
PP 8104-8112

TE Importance of chain-chain interactions on the band gap of
   trans-polyacetylene as predicted by second-order perturbation
   theory
AU Ramiro Pino and Gustavo E.Scuseria
PP 8113-8119

TE Self-consistent mode-coupling theory for the viscosity of
   rodlike polyelectrolyte solutions
AU Kunimasa Miyazaki, Biman Bagchi, and Arun Yethiraj
PP 8120-8127

TE Equation of state and liquid-vapor equilibria of one- and
   two-Yukawa hard-sphere chain fluids: Theory and simulation
AU Yurij V.Kalyuzhnyi, Clare McCabe, Eric Whitebay, and
   Peter T.Cummings
PP 8128-8137

TE Structure and rheological behavior of casein micelle 
    suspensions   during ultrafiltration process
AU F.Pignon, G.Belina, T.Narayanan, X.Paubel, A.Magnin, and
   G.Gesan-Guiziou
PP 8138-8146

TE A reactive force field simulation of liquid-liquid phase
   transitions in phosphorus
AU P.Ballone and R.O.Jones
PP 8147-8157

TE Chain conformation in two-dimensional dense state
AU Xiaorong Wang and Victor J.Foltz
PP 8158-8162


TE Comment on "Postnucleation droplet growth in 
     supersaturated gas  with arbitrary vapor concentration"
     [J. Chem. Phys., v.120,   10455 (2004)]
AU Timo Vesala, Markku Kulmala, and Paul E.Wagner
PP 8163-8164