Journal of Chemical Physics

Journal of Chemical Physics, Vol.113, No.20 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (57 articles)

8865 - 8868	Phase-energy approach to collision-induced vibrational relaxation Kazansky AK, Ermoshin VA, Engel V
8869 - 8872	Monte Carlo simulation of the chemisorption kinetics and initial oxide formation on Al(111) Oner DE, Chakarova R, Zoric I, Kasemo B
8873 - 8879	Benchmark variational coupled cluster doubles results Van Voorhis T, Head-Gordon M
8880 - 8887	Basis-set extrapolation of the correlation energy Varandas AJC
8888 - 8897	Integrating the quantum Hamilton-Jacobi equations by wavefront expansion and phase space analysis Bittner ER, Wyatt RE
8898 - 8907	Quantum wave packet dynamics with trajectories: Implementation with adaptive Lagrangian grids Wyatt RE, Bittner ER
8908 - 8917	Hartree-Fock and Kohn-Sham atomic-orbital based time-dependent response theory Larsen H, Jorgensen P, Olsen J, Helgaker T
8918 - 8935	Asymptotic correction approach to improving approximate exchange-correlation potentials: Time-dependent density-functional theory calculations of molecular excitation spectra Casida ME, Salahub DR
8936 - 8944	Interpolated ab initio quantum scattering for the reaction of OH with HCl Yu HG, Nyman G
8945 - 8952	Ultraviolet laser spectroscopy of jet-cooled CaNC and SrNC free radicals: Observation of bent excited electronic states Greetham GM, Ellis AM
8953 - 8960	Exact two-electron wave packet dynamics of H-2 in an intense laser field: Formation of localized ionic states H+H- Harumiya K, Kawata I, Kono H, Fujimura Y
8961 - 8968	An ab initio study of (H3B <- NH3)(-) - a dipole-bound anion supported by the dative charge-transfer bond in the neutral host Barrios R, Skurski P, Rak J, Gutowski M
8969 - 8980	Quantum model simulation of complete S-0 -> S-1 population transfer by means of intense laser pulses with opposite chirp Manz J, Naundorf H, Yamashita K, Zhao Y
8981 - 8994	Naphthalene dimer: Electronic states, excimers, and triplet decay East ALL, Lim EC
8995 - 8999	Knudsen cell mass spectrometric investigation of the B2N molecule Meloni G, Baba MS, Gingerich KA
9000 - 9010	Line shape parameters for HF in a bath of argon as a test of classical path models Hartmann JM, Boulet C
9011 - 9021	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 Peric M, Grein F, Hachey MRJ
9022 - 9031	Oriented chlorine atoms as a probe of the nonadiabatic photodissociation dynamics of molecular chlorine Alexander AJ, Kim ZH, Kandel SA, Zare RN, Rakitzis TP, Asano Y, Yabushita S
9032 - 9043	Water-wire clusters: Vibronic spectra of 7-hydroxyquinoline center dot(H2O)(3) Bach A, Coussan S, Muller A, Leutwyler S
9044 - 9050	Multiphoton dynamics of H-2 with 248 nm picosecond and femtosecond pulses Bakker BLG, Parker DH, Samartzis PC, Kitsopoulos TN
9051 - 9059	Structure of the chlorobenzene-argon dimer: Microwave spectrum and ab initio analysis Oh JJ, Park I, Wilson RJ, Peebles SA, Kuczkowski RL, Kraka E, Cremer D
9060 - 9066	Microwave-infrared double resonance spectroscopy of an OCS molecule inside a He-4 droplet Grebenev S, Havenith M, Madeja F, Toennies JP, Vilesov AF
9067 - 9078	Electronic spectroscopy of B atoms and B-2 molecules isolated in para-H-2, normal-D-2, Ne, Ar, Kr, and Xe matrices Tam S, Macler M, DeRose ME, Fajardo ME
9079 - 9089	Quantum molecular dynamics and spectral simulation of a boron impurity in solid para-hydrogen Krumrine JR, Jang SM, Alexander MH, Voth GA
9090 - 9100	Mechanism of fast proton transfer in ice: Potential energy surface and reaction coordinate analyses Kobayashi C, Saito SJ, Ohmine I
9101 - 9108	Viscosity and shear response at the dynamic glass transition of glycerol Schroter K, Donth E
9109 - 9112	Random walk and diffusion of hard spherical particles in quenched systems: Reaching the continuum limit on a lattice Mercier JF, Slater GW
9113 - 9121	The local structure of various hydrogen bonded liquids: Voronoi polyhedra analysis of water, methanol, and HF Jedlovszky P
9122 - 9131	Comparison of planar shear flow and planar elongational flow for systems of small molecules Matin ML, Daivis PJ, Todd BD
9132 - 9139	Solvent effects in emission spectroscopy: A Monte Carlo quantum mechanics study of the n <-pi(*) shift of formaldehyde in water Coutinho K, Canuto S
9140 - 9148	A high-quality x-ray scattering experiment on liquid water at ambient conditions Hura G, Sorenson JM, Glaeser RM, Head-Gordon T
9149 - 9161	What can x-ray scattering tell us about the radial distribution functions of water? Sorenson JM, Hura G, Glaeser RM, Head-Gordon T
9162 - 9168	Liquid-vapor coexistence curves of several interatomic model potentials Okumura H, Yonezawa F
9169 - 9179	The solution of the Wertheim association theory for molecular liquids: Application to hydrogen fluoride Fries PH, Richardi J
9180 - 9190	Hydrolysis of the amorphous silica surface. I. Structure and dynamics of the dry surface Wilson M, Walsh TR
9191 - 9201	Hydrolysis of the amorphous silica surface. II. Calculation of activation barriers and mechanisms Walsh TR, Wilson M, Sutton AP
9202 - 9207	Molecular dynamics calculations of the electrochemical properties of electrolyte systems between charged electrodes Crozier PS, Rowley RL, Henderson D
9208 - 9216	A density functional study of crystalline acetic acid and its proton transfer polymorphic forms Rovira C, Novoa JJ
9217 - 9223	Relative reactivity of arsenic and gallium dimers and backbonds during the adsorption of molecular oxygen on GaAs(100)(6x6) Kruse P, McLean JG, Kummel AC
9224 - 9232	Chemically selective adsorption of molecular oxygen on GaAs(100)c(2x8) Kruse P, McLean JG, Kummel AC
9233 - 9238	X-ray photoelectron spectroscopy of low surface concentration mass-selected Ag clusters O'Shea JN, Schnadt J, Andersson S, Patthey L, Rost S, Giertz A, Brena B, Forsell JO, Sandell A, Bjorneholm O, Bruhwiler PA, Martensson N
9239 - 9247	Landau free energy curves for melting of quantum solids Chakravarty C, Lynden-Bell RM
9248 - 9261	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 NH3 adsorption Bolis V, Maggiorini S, Meda L, D'Acapito F, Palomino GT, Bordiga S, Lamberti C
9262 - 9267	Coherent elastic and rotationally inelastic scattering of N-2, O-2, and CH4 from a 10 K Cu(111) surface Andersson T, Althoff F, Linde P, Hassel M, Persson M, Andersson S
9268 - 9278	Brownian dynamics simulation of the motion of a rigid sphere in a viscous fluid very near a wall Sholl DS, Fenwick MK, Atman E, Prieve DC
9279 - 9287	Argon scattering from liquid indium: Simulations with embedded atom potentials and experiment Chase D, Manning M, Morgan JA, Nathanson GM, Gerber RB
9288 - 9293	The unperturbed state of dendrimers Ganazzoli F, La Ferla R
9294 - 9299	Spectral diffusion in polyethylene: Single-molecule studies performed between 30 mK and 1.8 K Donley EA, Plakhotnik T
9300 - 9309	Early stages of spinodal decomposition in binary liquid crystal mixtures Matsuyama A, Kato T
9310 - 9317	Continuum percolation in macromolecular fluids Chatterjee AP
9318 - 9330	Extracting knowledge-based energy functions from protein structures by error rate minimization: Comparison of methods using lattice model Xia Y, Levitt M
9331 - 9342	Bridging the gap between homopolymer and protein models: A discontinuous molecular dynamics study Smith AV, Hall CK
9343 - 9350	Elastic moduli renormalization in self-interacting stretchable polyelectrolytes Podgornik R, Hansen PL, Parsegian VA
9351 - 9352	The weakly bound complex CO-orthoD(2): Detection of millimeter-wave transitions Surin LA, Dumesh BS, Winnewisser G, Pak I
9353 - 9354	Comment on "An ab initio cluster study of the structure of the Si(001) surface" [J. Chem. Phys. 112, 2994 (2000)] Hess JS, Doren DJ
9355 - 9356	Response to "Comment on 'An ab initio cluster study of the structure of the Si(001) surface' " [J. Chem. Phys. 113, 9353 (2000)] Gordon MS, Shoemaker JR, Burggraf LW
9357 - 9357	In situ studies of thiol self-assembly on gold from solution using atomic force microscopy (vol 108, pg 5002, 1998) Xu S, Cruchon-Dupeyrat SJN, Garno JC, Liu GY, Jennings GK, Yong TH, Laibinis PE