TE Nucleation and growth of AgCl clusters in a sodium borate glass. Numerical analysis and SAXS results AU Jurn Schmelzer, Jr., Ulrich Lembke, and Rainer Kranold TE Local density approximation and generalized gradient approximation calculations for oxygen and silicon vacancies in silica AU N.Capron, S.Carniato, A.Lagraa, G.Boureau, and A.Pasturel TE Statistical mechaics of rotationally inelastic molecule-surface scattering in the dynamical Lie algebraic method AU Daren Guan, Xizhang Yi, Shiliang Ding, Yujun Zheng, and Jiazhong Sun TE A density functional theory study of site-specific methyl reaction on MoO{_3} (010): The effects of methyl coverage AU M.Chen, C.M.Friend, and Efthimios Kaxiras TE Squeezing lubrication films. Layering transition for curved solid surfaces with long-range elasticity AU B.N.J.Persson and P.Ballone TE Construction of a grazing incidence x-ray reflection system for liquid-vapor interfaces by use of an imaging plate AU Yohko F.Yano and Takao Iijima TE High photogeneration efficiency of charge-transfer complexes formed between low ionization potential arylamines and C{_60} AU E.Hendrickx, B.Kippelen, S.Thayumanavan, S.R.Marder, A.P.Persoons, and N.Peyghambarian TE Molecular modelling of electron trapping in polymer insulators AU M.Meunier and N.Quirke TE Singlet and triplet excitations of chiral dialkoxy-pphenylene vinylene oligomers AU Emiel Peeters, Alicia Marcos Ramos, Stefan C.J.Meskers, and Rene A.J.Janssen TE A Monte Carlo study on the effect of excluded volume interactions on the scattering from block copolymer micelles AU Carsten Svaneborg and Jan Skov Pedersen TE The fluctuation theorem and Green-Kubo relations AU Debra J.Searles and Denis J.Evans TE Concertedness and solvent effects in multiple proton transfer reactions: The formic acid dimer in solution AU J.Kohanoff, S.Koval, D.A.Estrin, D.Laria and Y.Abashkin TE Potentials of mean force of simple ions in ambient aqueous solution. II: Solvation structure from the three-dimensional reference interaction site model approach, and comparison with simulations AU Andriy Kovalenko and Fumio Hirata TE Potentials of mean force of simple ions in ambient aqueous solution. I: Three-dimensional reference interaction site model approach AU Andriy Kovalenko and Fumio Hirata TE Structural relaxation of the fragile glass-former propylene carbonate studied by nuclear magnetic resonance AU F.Qi, K.U.Schug,S.Dupont, A.Do{beta}, R.Boehmer, H.Sillelscu, H.Kolshorn, and H.Zimmermann TE Molecular-dynamics simulation of structural and conformational properties of poly(propylene oxide) AU Peter Ahlstroem, Oleg Borodin, Goran Wahnstroem, Erik J.W.Wensink, Patrik Carlsson, and Grant D.Smith TE First principles study of thermal decomposition of alkyl-gallium and tertiarybutylarsine AU Mauro Boero, Yoshitada Morikawa, Kiyoyuki Terakura, and Masashi Ozeki TE Spontaneous motion of droplets during the demixing transition in binary fluids AU V.Kumaran TE Comparison of charged sheets and connected-3-D Ewald calculations of long-range forces in slab geometry electrolyte systems with solvent molecules AU Paul S.Crozier, Richard L.Rowley, Eckhard Spohr, and Douglas Henderson TE Local dynamics of isotactic and syndiotactic polypropylene in solution AU M.Destree, F.Laupretre, A.Lyulin, and J.-P.Ryckaert TE Direct observation of charge-transfer-to-solvent (CTTS) reactions: Ultrafast dynamics of the photo- excited alkali metal anion sodide (Na{^-}) AU Erik R.Barthel, Ignacio Martini, and Benjamin J.Schwartz TE Effect of the fluid-wall interaction on freezing of confined fluids: Towards the development of a global phase diagram AU Ravi Radhakrishnan, Keith E.Gubbins, and Malgorzata Sliwinska-Bartkowiak TE On the ground-state spectroscopic constants of Tl{_2} AU Young-Kyu Han and Kimihiko Hirao TE Quantum Monte Carlo: Direct calculation of corrections to trial wavefunctions and their energies AU James B.Anderson TE Relativistic coupled cluster calculations for neutral and singly charged Au{_3}-clusters AU Ralf Wesendrup, Tricia Hunt, and Peter Schwerdtfeger TE An ab initio quartic force field of PH{_3} AU Dong Wang, Qiang Shi, and Qing-Shi Zhu TE Ab initio study of the low-lying electronic states of Ag{_3}{^-}, Ag {_3}, and Ag{_3}{^+}: A coupled-cluster approach AU Jungjoo Yoon, Kwang S.Kim, and Kyoung K.Baeck TE Structure sensitivity and cluster size convergence for formate adsorption on copper surfaces: A DFT cluster model study AU Zhenming Hu and Russell J.Boyd TE Density functional calculations of hypothetical neutral hollow octahedral molecules with a 48atom framework: Hydrides and oxides of boron, carbon, nitrogen, aluminum and silicon AU Randall A.LaViolette and Michael T.Benson TE Determination of conformational energy differences of propynlidyne isomers using the effective valence shell Hamiltonian method AU Rajat K.Chaudhuri, Sonjoy Mazumder, and Karl F.Freed TE Is Moller-Plesset perturbation theory a convergent ab initio method? AU Matthew L.Leininger, Wesley D.Allen, Henry F.Schaefer III, and C.David Sherrill TE Efficient real space solution of the Kohn-Sham equations with multiscale techniques AU Jian Wang and Thomas L.Beck TE Dissociative photoionization of CF{_4} from 23 to 120 eV AU Toshio Masuoka and Ataru Kobayashi TE High-resolution infrared spectrum and energy levels of the weakly-bound complex, CO-ortho D{_2} AU A.R.W.McKellar TE Collision-induced dissociation and density functional study of the structures and energies of cyclic C{_2n}N{_5}{^-} clusters AU Zichao Tang, Joseph J.BelBruno, Rongbin Huang, and Lansun Zheng TE Helium atom scattering from isolated CO molecules on a Pt(111) surface: Experiment versus close-coupling calculations for a realistic He-CO potential AU B.H.Choi, A.P.Graham, K.T.Tang, and J.P.Toennies TE Prereactive evolution of monoalkenes excited in the 6 eV region AU J.M.Mestdagh, J.P.Visticot, M.Elhanine, and B.Soep TE Forced Rayleigh scattering studies of mixtures of amplitude and phase gratings in methyl yellow/ alcohol solutions AU Ha Seon Park, Taihyun Chang, and Daniel R.Spiegel TE Absolute partial cross sections for electron-impact ionization of NO and NO{_2} from threshold to 1000 eV AU B.G.Lindsay, M.A.Mangan, H.C.Straub, and R.F.Stebbings TE Quantum mechanical integral cross sections and rate constants for the F+HD reactions AU Dong H.Zhang, Soo-Y.Lee, and Michael Baer TE Parallel filter diagonalization: A novel method to resolve quantum states in dense spectral regions AU R.Santra, J.Breidbach, J.Zobeley, and L.S.Cederbaum TE Fourier transform spectroscopy and cross section measurements of the Herzberg III bands of O{_2} at 295 K AU K.Yoshino, J.R.Esmond, W.H.Parkinson, A.P.Thorne, R.C.M.Learner, G.Cox, and A.S.-C.Cheung TE The {nu}{_CC} = 3{nu}{_CH} rovibrational manifold of acetylene. II. Intramolecular perturbations and symmetry-breaking processes AU Angela P.Milce and Brian J.Orr TE Laser probing of rotational-state-dependent velocity distributions of N{_2}{^+} ({nu}"=0,J) drifted in He AU Eric B.Anthony, Michael J.Bastian, Veronica M.Bierbaum, and Stephen R.Leone TE The effect of force-field parameters on properties of liquids: Parametrization of a simple three site model for methanol AU Regula Walser, Alan E.Mark, Wilfred F.van Gunsteren, Monika Lauterba and Georges Wipff TE Terahertz laser spectroscopy of the water dimer intermolecular vibrations. II: (H{_2}O){_2} AU L.B.Braly, K.Liu, M.G.Brown, F.N.Keutsch, R.S.Fellers, and R.J.Saykally TE Terahertz laser spectroscopy of the water dimer intermolecular vibrations. I: (D{_2}O){_2} AU L.B.Braly, J.D.Cruzan, K.Liu, R.S.Fellers, and.R.J.Saykally TE Calculations of the dynamics of phase-locked vibrational wavepackets in Na{_2}{^+}: Young's double slit experiment in a molecule AU V.G.Stavros and H.H.Fielding TE Noble gas-metal chemical bonding? The microwave spectra, structures and hyperfine constants of Ar-CuX (X=F, Cl,Br) AU Corey J.Evans and Michael C.L.Gerry TE Studies on carbon/sulfur cluster anions produced by laser vaporization: Experiment (collisioninduced dissociation) and theory (ab initio calculation) (I) C{_2}S{_m}{^-} (1HCl + CH{_3} AU J.C.Corchado, D.G.Truhlar, and J.Espinosa-Garcia TE Vibronic spectroscopy and lifetime of S{_1} acrolein AU Kevin W.Paulisse, Tyson O.Friday, Margaret L.Graske, and William F.Polik TE Photoionization and photofragmentaqtion of gaseous toluene using 80-fs, 800-nm laser pulses AU A.M.Muller, C.J.G.J.Uiterwaal, B.Witzel J.Wanner, and K.-L.Kompa