Journal of Chemical Physics

Journal of Chemical Physics, Vol.114, No.6 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (38 articles)

2519 - 2522	Dynamics of excited-state proton transfer systems via time-resolved photoelectron spectroscopy Lochbrunner S, Schultz T, Schmitt M, Shaffer JP, Zgierski MZ, Stolow A
2523 - 2526	Softened C-H modes of adsorbed methyl and their implications for dehydrogenation: An ab initio study Michaelides A, Hu P
2527 - 2540	On the use of graph invariants for efficiently generating hydrogen bond topologies and predicting physical properties of water clusters and ice Kuo JL, Coe JV, Singer SJ, Band YB, Ojamae L
2541 - 2549	The conformational behavior of polyglycine as predicted by a density functional model with periodic boundary conditions Improta R, Barone V, Kudin KN, Scuseria GE
2550 - 2561	Photoabsorption spectra in the continuum of molecules and atomic clusters Nakatsukasa T, Yabana K
2562 - 2571	Semiclassical description of quantum coherence effects and their quenching: A forward-backward initial value representation study Wang HB, Thoss M, Sorge KL, Gelabert R, Gimenez X, Miller WH
2572 - 2579	Semiclassical description of diffraction and its quenching by the forward-backward version of the initial value representation Gelabert R, Gimenez X, Thoss M, Wang HB, Miller WH
2580 - 2591	A Fukui function overlap method for predicting reactivity in sterically complex systems Clark LA, Ellis DE, Snurr RQ
2592 - 2600	The improved virtual orbital-complete active space configuration interaction method, a "packageable" efficient ab initio many-body method for describing electronically excited states Potts DM, Taylor CM, Chaudhuri RK, Freed KF
2601 - 2613	Nuclear dynamics near conical intersections in the adiabatic representation: I. The effects of local topography on interstate transitions Yarkony DR
2614 - 2622	Characterizing the local topography of conical intersections using orthogonality constrained parameters: Application to the internal conversion S-1 -> S-0 in HNCO Yarkony DR
2623 - 2628	Vibrational spectra of the methanol tetramer in the OH stretch region. Two cyclic isomers and concerted proton tunneling Vener MV, Sauer J
2629 - 2646	Continuum state spectroscopy: A high resolution ion imaging study of IBr photolysis in the wavelength range 440-685 nm Wrede E, Laubach S, Schulenburg S, Brown A, Wouters ER, Orr-Ewing AJ, Ashfold MNR
2647 - 2652	Ab initio studies of the reactions of M(S-1,P-3, and P-1) with GeH4 (M=Cd, Hg) Luna-Garcia H, Ramirez-Solis A, Castillo S
2653 - 2668	Negative ion photoelectron spectroscopy of the group 5 metal trimer monoxides V3O, Nb3O, and Ta3O Green SME, Alex S, Fleischer NL, Millam EL, Marcy TP, Leopold DG
2669 - 2680	Differential cross sections for rotationally inelastic scattering of NO from He and D-2 Westley MS, Lorenz KT, Chandler DW, Houston PL
2681 - 2686	Effect of carrier-gas pressure on barrier to nucleation: Monte Carlo simulation of water/nitrogen system Oh KJ, Zeng XC
2687 - 2697	A theoretical study of the polarized neutron scattering from Cs3CoCl5 Li ZC, Jayatilaka D, Figgis BN, Chandler GS
2698 - 2706	Hydration of a structured excess charge distribution: Infrared spectroscopy of the O-2(-)center dot(H2O)(n), (1 <= n <= 5) clusters Weber JM, Kelley JA, Robertson WH, Johnson MA
2707 - 2717	Raman microprobe polarization measurements as a tool for studying the structure and orientation of molecules and clusters incorporated into cubic zeolites: S-8 and Se-12 rings in zeolite A Poborchii VV
2718 - 2726	Nonexponential dielectric relaxation dynamics in supercooled liquid and glassy states of isoamyl bromide and 2-methylpentane mixtures Kalinovskaya OE, Vij JK
2727 - 2737	Isotope-edited two-dimensional vibrational spectroscopy of trialanine in aqueous solution Woutersen S, Hamm P
2738 - 2744	Computer simulation study of the velocity cross correlations between neighboring atoms in simple liquid binary mixtures Verdaguer A, Padro JA
2745 - 2750	Size selectivity in a confined polydisperse hard-disk fluid Kim SC, Suh SH
2751 - 2759	Study of ion desorption induced by carbon core excitation for poly-methylmethacrylate thin film using electron-ion coincidence spectroscopy Ikenaga E, Isari K, Kudara K, Yasui Y, Sardar SA, Wada S, Sekitani T, Tanaka K, Mase K, Tanaka S
2760 - 2765	Tuning the spectral and temporal response in PtAu core-shell nanoparticles Hodak JH, Henglein A, Hartland GV
2766 - 2774	Cycloaddition reaction of furan with Si(100)-2x1 Qiao MH, Tao F, Cao Y, Li ZH, Dai WL, Deng JF, Xu GQ
2775 - 2783	Theory and numerical study of exciton dynamics in a disordered linear chain Shimizu M, Suto S, Goto T
2784 - 2792	Wetting of methanol on the n-alkanes: Observation of short-range critical wetting Ross D, Bonn D, Meunier J
2793 - 2801	Nucleation in a slit pore Talanquer V, Oxtoby DW
2802 - 2811	The effect of chain density on the frictional behavior of surfaces modified with alkylsiloxanes and immersed in n-alcohols Clear SC, Nealey PF
2812 - 2816	Reversible adsorption of calcium ions by imprinted temperature sensitive gels Alvarez-Lorenzo C, Guney O, Oya T, Sakai Y, Kobayashi M, Enoki T, Takeoka Y, Ishibashi T, Kuroda K, Tanaka K, Wang GQ, Grosberg AY, Masamune S, Tanaka T
2817 - 2824	Molecular dynamics computer simulations of solvation dynamics at liquid/liquid interfaces Michael D, Benjamin I
2825 - 2829	An experimental study of the occupied volume in polyethylene terephthalate Consolati G, Quasso F
2830 - 2838	The effect of acid-base equilibria on the fractional charge and conformational properties of polyelectrolyte solutions Shew CY, Yethiraj A
2839 - 2846	Structure factors effects in small-angle scattering from block copolymer micelles and star polymers Pedersen JS
2847 - 2860	Self-consistent integral equation theory for polyolefins: Comparison to molecular dynamics simulations and x-ray scattering Putz M, Curro JG, Grest GS
2861 - 2861	Efficiency of encounter-controlled reaction between diffusing reactants in a finite lattice (vol 113, pg 8168, 2000) Kozak JJ, Nicolis C, Nicolis B