COMMUNICATIONS

TE What is the shape of pores in natural rocks? AU Quan Chen and Y.-Q.Song PP 8247-8250 TE Resonant two-photon ionization study of jet-cooled amino acid: L-phenylalanine and its monohydrated complex AU Kang Taek Lee, Jiha Sung, Kwang Jun Lee, Seong Keun Kim, and Young Dong Park PP 8251-8254

ARTICLES

Theoretical Methods and Algorithms TE A black-box self-consistent field convergence algorithm: One step closer AU Konstantin N.Kudin, Gustavo E.Scuseria, and Eric Cances PP 8255-8261 TE Torsional path integral Monte Carlo method for the quantum simulation of large molecules AU Thomas F.Miller III and David C.Clary PP 8262-8269 TE Accurate relativistic Gaussian basis sets determined by the third-order Douglas-Kroll approximation with a finite-nucleus model AU Takahito Nakajima and Kimihiko Hirao PP 8270-8275 TE Exchange-only optimized effective potential for molecules from resolution-of-the-identity techniques: Comparison with the local density approximation, with and without asymptotic correction AU Sebastien Hamel, Mark E.Casida, and Dennis R.Salahub PP 8276-8291Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry TE Experimental and theoretical investigations of the O(^{1}D) reaction with cyclopropane AU Chia C.Wang, Jinian Shu, Jim J.Lin, Yuan T.Lee, Xueming Yang, Thanh Lam Nguyen, and Alexander M.Mebel PP 8292-8299 TE Photodissociation of the hydroxymethyl radical. I. The role of conical intersections in line broadening and decomposition pathways AU Brian C.Hoffman and David R.Yarkony PP 8300-8306 TE Entropic effects on the structure of Lennard-Jones clusters AU Jonathan P.K.Doye and Florent Calvo PP 8307-8317 TE Memory kernels and effective Hamiltonians from time-dependent methods. II. Vibrational predissociation AU Vincent Brems and Michele Desouter-Lecomte PP 8318-8326 TE Global optimization analysis of water clusters (H_{2}O)_{n} (11<=n<=13) through a genetic evolutionary approach AU Freddy F.Guimara~es, Jadson C.Belchior, Roy L.Johnston, and Christopher Roberts PP 8327-8333 TE Vibronic transitions from coupled-cluster response theory: Theory and application to HSiF and H_{2}O AU Ove Christiansen, Torgeir A.Ruden, Kenneth Ruud, and Trygve Helgaker PP 8334-8342 TE Vinyl radical visible spectroscopy and excited state dynamics AU Milena Shahu, Chun-Hui Yang, Charles D.Pibel, Andrew McIlroy, Craig A.Taatjes, and Joshua B.Halpern PP 8343-8352 TE Coupled quasidiabatic potential energy surfaces for LiFH AU Ahren W.Jasper, Michael D.Hack, Donald G.Truhlar, and Piotr Piecuch PP 8353-8366 TE Electronic and vibrational predissociation in ArI_{2} photodissociation dynamics AU Bruno Lepetit, Octavio Roncero, Alexei A.Buchachenko, and Nadine Halberstadt PP 8367-8375 TE Calculating approximate quantum mechanical rates without an a priori reaction coordinate AU Yisroel Brumer, Andrei A.Golosov, Zong Da Chen, and David R.Reichman PP 8376-8383 TE Laser-assisted (1+1')-photon ionization-detected absorption spectrum of the 3ppi ^{2}Pi state of HCO and DCO AU J.D.Robinson, R.J.Foltynowicz, K.Prentice, P.Bell, and E.R.Grant PP 8384-8395 TE Theoretical study of the unusual potential energy curve of the A ^{1}Sigma^{+} state of AgH AU Henryk A.Witek, Dmitri G.Fedorov, Kimihiko Hirao, Alexandra Viel, and Per-Olof Widmark PP 8396-8406Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation TE Magnetic field induced alignment of cyanine dye J-aggregates AU I.O.Shklyarevskiy, M.I.Boamfa, P.C.M.Christianen, F.Touhari, H.van Kempen, G.Deroover, P.Callant, and J.C.Maan PP 8407-8410 TE SF_{6} and its clusters in solid parahydrogen studied by infrared spectroscopy AU Hiroyuki Katsuki, Takamasa Momose, and Tadamasa Shida PP 8411-8417 TE Dissipative mixed quantum-classical simulation of the aqueous solvated electron system AU Kim F.Wong and Peter J.Rossky PP 8418-8428 TE Solvent-induced electronic decoherence: Configuration dependent dissipative evolution for solvated electron systems AU Kim F.Wong and Peter J.Rossky PP 8429-8438 TE Dynamical instabilities in liquid nuclear magnetic resonance experiments with large nuclear magnetization, with and without pulsed field gradients AU J.Jeener PP 8439-8446 TE Chemical equilibrium in supercritical fluids: Solvent effects on the dimerization equilibrium constant AU S.A.Egorov and Eran Rabani PP 8447-8454 TE Anomalies in the self-diffusion coefficient near the critical point AU Binny J.Cherayil PP 8455-8462 TE Mesoscale structure and fractal nature of 1-propanol aqueous solution: A reverse Monte Carlo analysis of small angle neutron scattering intensity AU M.Misawa PP 8463-8468 TE Dielectric relaxation of electrolyte solutions using terahertz transmission spectroscopy AU M.L.T.Asaki, A.Redondo, T.A.Zawodzinski, and A.J.Taylor PP 8469-8482 TE Square-well fluids: The statistical and thermodynamic properties of short chains AU Sergey V.Fridrikh and J.E.G.Lipson PP 8483-8491 TE Properties of the path-integral quantum hard-sphere fluid in k space AU Luis M.Sese PP 8492-8503 TE Effects of three-body interactions on the structure and thermodynamics of liquid krypton AU N.Jakse, J.M.Bomont, and J.L.Bretonnet PP 8504-8508 TE A simple weighted-density-functional approach to the structure of inhomogeneous fluids AU Chandra N.Patra and Swapan K.Ghosh PP 8509-8516 TE Integral equation theory of Lennard-Jones fluids: A modified Verlet bridge function approach AU Niharendu Choudhury and Swapan K.Ghosh PP 8517-8522Surfaces, Interfaces, and Materials TE Nanocages of layered BN: Super-high-pressure nanocells for formation of solid nitrogen AU D.Golberg, Y.Bando, T.Sato, N.Grobert, M.Reyes-Reyes, H.Terrones, and M.Terrones PP 8523-8532 TE Local membrane ordering of sponge phases at a solid-solution interface AU W.A.Hamilton, L.Porcar, Paul D.Butler, and Gregory G.Warr PP 8533-8546 TE On simulation methods to compute surface and interfacial free energies of disordered solids AU Gregory Grochola, Salvy P.Russo, Ian K.Snook, and Irene Yarovsky PP 8547-8555 TE Electron-stimulated desorption of positive ions from methane and fluoromethane nanoclusters AU Ryutaro Souda PP 8556-8559 TE Exact numerical computation of a kinetic energy operator in curvilinear coordinates AU David Lauvergnat and Andre Nauts PP 8560-8570 TE Directed dynamic self-assembly of objects rotating on two parallel fluid interfaces AU Bartosz A.Grzybowski and George M.Whitesides PP 8571-8577Polymers, Biopolymers, and Complex Systems TE Foldability and the funnel of HP-36 protein sequence: Use of hydropathy scale in protein folding AU Goundla Srinivas and Biman Bagchi PP 8579-8587 TE The phase behavior of charged colloidal systems in the mean spherical approximation AU Simon N.Petris and Derek Y.C.Chan PP 8588-8595 TE Fluorescence and absorption spectra of oligophenylenevinylenes: Vibronic coupling, band shapes, and solvatochromism AU Johannes Gierschner, Hans-Georg Mack, Larry Lueer, and Dieter Oelkrug PP 8596-8609 TE The symmetric broadening of the water relaxation peak in polymer-water mixtures and its relationship to the hydrophilic and hydrophobic properties of polymers AU Yaroslav E.Ryabov, Yuri Feldman, Naoki Shinyashiki, and Shin Yagihara PP 8610-8615 TE Dynamics of dendrimers and of randomly built branched polymers AU C.von Ferber and A.Blumen PP 8616-8624 TE Phase diagrams for a multistep potential model of n-alkanes by discontinuous molecular dynamics and thermodynamic perturbation theory AU Jingyu Cui and J.Richard Elliott, Jr. PP 8625-8631

LETTERS TO THE EDITOR

Notes TE Analysis of the equations-of-state of water in the metastable region at high pressures AU Vladimir Tchijov PP 8632-8633 TE Collision induced phenomena on the CO/H/Ni(100) surface AU T.Takaoka, M.Inamura, S.Yanagimachi, and I.Kusunoki PP 8634-8635

Errata

TE Erratum: "Temperature dependence of hydrophobic interactions: A mean force perspective, effects of water density, and nonadditivity of thermodynamic signatures" [J. Chem. Phys., v.113, 4683 (2000)] AU Seishi Shimizu and Hue Sun Chan PP 8636 TE Erratum: "Multicomponent mixture of charged hard-sphere chain molecules in the polymer mean-spherical approximation" [J. Chem. Phys., v.115, 540 (2001)] AU Yu.V.Kalyuzhnyi and P.T.Cummings PP 8637