The Journal of Chemical Physics, 2000, V 113, N 20, November 22.

TE Phase-energy approach to collision-induced 
vibrational relaxation
AU A.K.Kazansky, V.A.Ermoshin, and V.Engel
PP 8865-8868

TE Monte Carlo simulation of the chemisorption kinetics 
and initial oxide formation on Al(111)
AU D.E.Oner, R.Chakarova, I.Zoric, and B.Kasemo
PP 8869-8872


TE Benchmark variational coupled cluster doubles results AU Troy Van Voorhis and Martin Head-Gordon PP 8873-8879 TE Basis-set extrapolation of the correlation energy AU A.J.C.Varandas PP 8880-8887 TE Integrating the quantum Hamilton-Jacobi equations by wavefront expansion and phase space analysis AU Eric R.Bittner and Robert E.Wyatt PP 8888-8897 TE Quantum wave packet dynamics with trajectories: Implementation with adaptive Lagrangian grids AU Robert E.Wyatt and Eric R.Bittner PP 8898-8907 TE Hartree-Fock and Kohn-Sham atomic-orbital based time-dependent response theory AU Helena Larsen, Poul Jorgensen, Jeppe Olsen, and Trygve Helgaker PP 8908-8917 TE Asymptotic correction approach to improving approximate exchange-correlation potentials: Time-dependent density-functional theory calculations of molecular excitation spectra AU Mark E.Casida and Dennis R.Salahub PP 8918-8935 TE Interpolated ab initio quantum scattering for the reaction of OH with HCl AU Hua-Gen Yu and Gunnar Nyman PP 8936-8944 TE Ultraviolet laser spectroscopy of jet-cooled CaNC and SrNC free radicals: Observation of bent excited electronic states AU Gregory M.Greetham and Andrew M.Ellis PP 8945-8952 TE Exact two-electron wave packet dynamics of H_{2} in an intense laser field: Formation of localized ionic states H^{+}H^{-} AU Kenji Harumiya, Isao Kawata, Hirohiko Kono, and Yuichi Fujimura PP 8953-8960 TE An ab initio study of (H_{3}B<-NH_{3})^{-}-a dipole-bound anion supported by the dative charge-transfer bond in the neutral host AU Robyn Barrios, Piotr Skurski, Janusz Rak, and Maciej Gutowski PP 8961-8968 TE Quantum model simulation of complete S_{0}-->S_{1} population transfer by means of intense laser pulses with opposite chirp AU J.Manz, H.Naundorf, K.Yamashita, and Y.Zhao PP 8969-8980 TE Naphthalene dimer: Electronic states, excimers, and triplet decay AU Allan L.L.East and Edward C.Lim PP 8981-8994 TE Knudsen cell mass spectrometric investigation of the B_{2}N molecule AU G.Meloni, M.Sai Baba, and K.A.Gingerich PP 8995-8999 TE Line shape parameters for HF in a bath of argon as a test of classical path models AU J.-M.Hartmann and C.Boulet PP 9000-9010 TE Ab initio study of the role of vibronic coupling in the ultraviolet valence/Rydberg spectrum of formaldehyde: Handling of vibronic interaction between three electronic states AU Miljenko Peric, Friedrich Grein, and Michel R.J.Hachey PP 9011-9021 TE Oriented chlorine atoms as a probe of the nonadiabatic photodissociation dynamics of molecular chlorine AU Andrew J.Alexander, Zee Hwan Kim, S.Alex Kandel, Richard N.Zare, T.Peter Rakitzis, Yukako Asano, and Satoshi Yabushita PP 9022-9031 TE Water-wire clusters: Vibronic spectra of 7-hydroxyquinoline-(H_{2}O)_{3} AU Andreas Bach, Stephane Coussan, Andreas Mueller, and Samuel Leutwyler PP 9032-9043 TE Multiphoton dynamics of H_{2} with 248 nm picosecond and femtosecond pulses AU Bernard L.G.Bakker, David H.Parker, Peter C.Samartzis, and Theofanis N.Kitsopoulos PP 9044-9050 TE Structure of the chlorobenzene-argon dimer: Microwave spectrum and ab initio analysis AU Jung Jin Oh, Inhee Park, Robb J.Wilson, Sean A.Peebles, Robert L.Kuczkowski, Elfi Kraka, and Dieter Cremer PP 9051-9059 TE Microwave-infrared double resonance spectroscopy of an OCS molecule inside a ^{4}He droplet AU S.Grebenev, M.Havenith, F.Madeja, J.P.Toennies, and A.F.Vilesov PP 9060-9066 TE Electronic spectroscopy of B atoms and B_{2} molecules isolated in para-H_{2}, normal-D_{2}, Ne, Ar, Kr, and Xe matrices AU Simon Tam, Michel Macler, Michelle E.DeRose, and Mario E.Fajardo PP 9067-9078 TE Quantum molecular dynamics and spectral simulation of a boron impurity in solid para-hydrogen AU Jennifer R.Krumrine, Soonmin Jang, Millard H.Alexander, and Gregory A.Voth PP 9079-9089 TE Mechanism of fast proton transfer in ice: Potential energy surface and reaction coordinate analyses AU Chigusa Kobayashi, Shinji Saito, and Iwao Ohmine PP 9090-9100 TE Viscosity and shear response at the dynamic glass transition of glycerol AU K.Schroeter and E.Donth PP 9101-9108 TE Random walk and diffusion of hard spherical particles in quenched systems: Reaching the continuum limit on a lattice AU Jean-Francois Mercier and Gary W.Slater PP 9109-9112 TE The local structure of various hydrogen bonded liquids: Voronoi polyhedra analysis of water, methanol, and HF AU Pal Jedlovszky PP 9113-9121 TE Comparison of planar shear flow and planar elongational flow for systems of small molecules AU M.L.Matin, P.J.Daivis, and B.D.Todd PP 9122-9131 TE Solvent effects in emission spectroscopy: A Monte Carlo quantum mechanics study of the n<-pi^{*} shift of formaldehyde in water AU Kaline Coutinho and Sylvio Canuto PP 9132-9139 TE A high-quality x-ray scattering experiment on liquid water at ambient conditions AU Greg Hura, Jon M.Sorenson, Robert M.Glaeser, and Teresa Head-Gordon PP 9140-9148 TE What can x-ray scattering tell us about the radial distribution functions of water? AU Jon M.Sorenson, Greg Hura, Robert M.Glaeser, and Teresa Head-Gordon PP 9149-9161 TE Liquid-vapor coexistence curves of several interatomic model potentials AU Hisashi Okumura and Fumiko Yonezawa PP 9162-9168 TE The solution of the Wertheim association theory for molecular liquids: Application to hydrogen fluoride AU P.H.Fries and J.Richardi PP 9169-9179 TE Hydrolysis of the amorphous silica surface. I. Structure and dynamics of the dry surface AU Mark Wilson and Tiffany R.Walsh PP 9180-9190 TE Hydrolysis of the amorphous silica surface. II. Calculation of activation barriers and mechanisms AU Tiffany R.Walsh, Mark Wilson, and Adrian P.Sutton PP 9191-9201 TE Molecular dynamics calculations of the electrochemical properties of electrolyte systems between charged electrodes AU Paul S.Crozier, Richard L.Rowley, and Douglas Henderson PP 9202-9207 TE A density functional study of crystalline acetic acid and its proton transfer polymorphic forms AU Carme Rovira and Juan J.Novoa PP 9208-9216 TE Relative reactivity of arsenic and gallium dimers and backbonds during the adsorption of molecular oxygen on GaAs(100)(6x6) AU Peter Kruse, James G.McLean, and Andrew C.Kummel PP 9217-9223 TE Chemically selective adsorption of molecular oxygen on GaAs(100)c(2x8) AU Peter Kruse, James G.McLean, and Andrew C.Kummel PP 9224-9232 TE X-ray photoelectron spectroscopy of low surface concentration mass-selected Ag clusters AU James N.O'Shea, Joachim Schnadt, Staffan Andersson, Luc Patthey, Steffen Rost, Annika Giertz, Barbara Brena, Jan-Olof Forsell, Anders Sandell, Olle Bjoerneholm, Paul A.Bruehwiler, and Nils Martensson PP 9233-9238 TE Landau free energy curves for melting of quantum solids AU C.Chakravarty and R.M.Lynden-Bell PP 9239-9247 TE X-ray photoelectron spectroscopy and x-ray absorption near edge structure study of copper sites hosted at the internal surface of ZSM-5 zeolite: A comparison with quantitative and energetic data on the CO and NH_{3} adsorption AU V.Bolis, S.Maggiorini, L.Meda, F.D'Acapito, G.Turnes Palomino, S.Bordiga, and C.Lamberti PP 9248-9261 TE Coherent elastic and rotationally inelastic scattering of N_{2}, O_{2}, and CH_{4} from a 10 K Cu(111) surface AU T.Andersson, F.Althoff, P.Linde, M.Hassel, M.Persson, and S.Andersson PP 9262-9267 TE Brownian dynamics simulation of the motion of a rigid sphere in a viscous fluid very near a wall AU David S.Sholl, Michael K.Fenwick, Edward Atman,and Dennis C.Prieve PP 9268-9278 TE Argon scattering from liquid indium: Simulations with embedded atom potentials and experiment AU D.Chase, M.Manning, J.A.Morgan, G.M.Nathanson, and R.Benny Gerber PP 9279-9287 TE The unperturbed state of dendrimers AU Fabio Ganazzoli and Roberto La Ferla PP 9288-9293 TE Spectral diffusion in polyethylene: Single-molecule studies performed between 30 mK and 1.8 K AU Elizabeth A.Donley and Taras Plakhotnik PP 9294-9299 TE Early stages of spinodal decomposition in binary liquid crystal mixtures AU Akihiko Matsuyama and Tadaya Kato PP 9300-9309 TE Continuum percolation in macromolecular fluids AU Avik P.Chatterjee PP 9310-9317 TE Extracting knowledge-based energy functions from protein structures by error rate minimization: Comparison of methods using lattice model AU Yu Xia and Michael Levitt PP 9318-9330 TE Bridging the gap between homopolymer and protein models: A discontinuous molecular dynamics study AU Anne Voegler Smith and Carol K.Hall PP 9331-9342 TE Elastic moduli renormalization in self-interacting stretchable polyelectrolytes AU Rudi Podgornik, Per Lyngs Hansen, and V.Adrian Parsegian PP 9343-9350

TE The weakly bound complex CO-orthoD_{2}: Detection of millimeter-wave transitions AU Leonid A.Surin, Boris S.Dumesh, Gisbert Winnewisser, and Igor Pak PP 9351-9352 TE Comment on "An ab initio cluster study of the structure of the Si(001) surface" [J. Chem. Phys., v.112, 2994 (2000)] AU J.S.Hess and D.J.Doren PP 9353-9354 TE Response to "Comment on `An ab initio cluster study of the structure of the Si(001) surface'" [J. Chem. Phys., v.113, 9353 (2000)] AU Mark S.Gordon, James R.Shoemaker, and Larry W.Burggraf PP 9355-9356 TE Erratum: "In situ studies of thiol self-assembly on gold from solution using atomic force microscopy" [J. Chem. Phys., v.108, 5002 (1998)] AU Song Xu, Sylvain J.N.Cruchon-Dupeyrat, Jayne C.Garno, Gang-Yu Liu, G.Kane Jennings, Tseh-Hwan Yong, and Paul E.Laibinis PP 9357