Journal of Chemical Physics

Journal of Chemical Physics, Vol.114, No.8 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (53 articles)

3349 - 3364	On product state distributions in triatomic unimolecular reactions: Beyond phase space theory and the adiabatic assumption Larregaray P, Bonnet L, Rayez JC
3365 - 3372	Nature of polarized excitons Ambjornsson T, Apell SP
3373 - 3379	Dynamical theory of time-resolved fluorescence with pulse excitation Lu J, Shao FW, Fan KN, Du SD
3380 - 3384	Dipole moments of adiabatic excited states using the Fock space multireference coupled-cluster analytic response approach Ajitha D, Pal S
3385 - 3392	A method for ab initio nonlinear electron-density evolution Baer R, Gould R
3393 - 3397	Non-Born-Oppenheimer calculations on the LiH molecule with explicitly correlated Gaussian functions Scheu CE, Kinghorn DB, Adamowicz L
3398 - 3407	Exchange energy in a double-well potential profile from fluctuation theory Battezzati M, Magnasco V
3408 - 3420	Correlation consistent valence basis sets for use with the Stuttgart-Dresden-Bonn relativistic effective core potentials: The atoms Ga-Kr and In-Xe Martin JML, Sundermann A
3421 - 3428	CO+B (2)Sigma(+)(nu=0) emission induced by laser excitation of neutral CO at 230 nm Di Teodoro F, Farrow RL
3429 - 3439	Electron scattering from gaseous SF6: Comparing calculations with experiments Gianturco FA, Lucchese RR
3440 - 3448	Exploring the transition state for the Li+HF -> LiF+H reaction through the A <- X absorption spectrum and X <- A stimulated emission pumping Aguado A, Lara M, Paniagua M, Roncero O
3449 - 3455	Energetics and dissociative photodetachment dynamics of superoxide-water clusters: O-2(-)(H2O)(n), n=1-6 Luong AK, Clements TG, Resat MS, Continetti RE
3456 - 3464	Angular trapping and rotational dissociation of a diatomic molecule in an optical centrifuge Spanner M, Ivanov MY
3465 - 3475	Direct-fitting approach to the analysis of high-resolution optical spectra: Monte Carlo and experimental studies of OH A(0)-> X(0) spectra Tellinghuisen J
3476 - 3487	Reaction of the ethynyl radical, C2H, with methylacetylene, CH3CCH, under single collision conditions: Implications for astrochemistry Stahl F, Schleyer PV, Bettinger HF, Kaiser RI, Lee YT, Schaefer HF
3488 - 3496	Chemical dynamics of d1-methyldiacetylene (CH3CCCCD; X (1)A(1)) and d1-ethynylallene (H2CCCH(C2D); X (1)A ') formation from reaction of C2D(X (2)Sigma(+)) with methylacetylene, CH3CCH(X (1)A(1)) Kaiser RI, Chiong CC, Asvany O, Lee YT, Stahl F, Schleyer PV, Schaefer HF
3497 - 3507	Highly excited vibronic eigenfunctions in a multimode nonadiabatic system with Duschinsky rotation Fujisaki H, Takatsuka K
3508 - 3523	Perturbation-allowed rotational transitions and A(1)-A(2) splitting transitions in the ground, v(2)=1 and v(4)=1 vibrational states of SbH3 observed by microwave Fourier transform spectroscopy: Extension of the effective hyperfine Hamiltonian Harder H, Gerke C, Fusina L
3524 - 3534	Proton transfer and tautomerization in 7-hydroxyquinoline center dot(NH3)(n) clusters: Structure and energetics at the self-consistent field level Coussan S, Meuwly M, Leutwyler S
3535 - 3545	Investigation of J dependence of line shift, line broadening, and line narrowing coefficients in the nu(1)+3 nu(3) absorption band of acetylene Valipour H, Zimmermann D
3546 - 3553	The unimolecular dissociation of the propionyl radical: A classical dynamics study Martinez-Nunez E, Pena-Gallego A, Vazquez SA
3554 - 3561	Electron-ion recombination rate constants in dense gaseous argon and krypton: Effects of electric field strength and the addition of N-2 or CH4 Takeda K, Kato R, Hayashida M, Odaka T, Shinsaka K, Kameta K, Odagiri T, Kouchi N, Hatano Y
3562 - 3569	An inhomogeneous integral equation for the triplet structure of binary liquids Jorge S, Lomba E, Abascal JLF
3570 - 3574	Vibrational spectra of germanium-carbon clusters. I. Identification of the nu(3)(sigma(u)) mode of linear GeC3Ge Robbins DL, Rittby CML, Graham WRM
3575 - 3585	Solvation in high-temperature electrolyte solutions. III. Integral equation calculations and interpretation of experimental data Chialvo AA, Kusalik PG, Cummings PT, Simonson JM
3586 - 3597	A unified treatment of ultrafast optical heterodyne detected and Z-scan spectroscopies Gardecki JA, Yu G, Constantine S, Peng J, Zhou Y, Ziegler LD
3598 - 3611	Instantaneous normal mode analysis of hydrated electron solvation dynamics Yang CY, Wong KF, Skaf MS, Rossky PJ
3612 - 3616	A new united atom force field for alpha-olefins Nath SK, Banaszak BJ, de Pablo JJ
3617 - 3630	Effect of competition between Coulomb and dispersion forces on phase transitions in ionic systems Ciach A, Stell G
3631 - 3639	Anisotropic jump model of the rotational dynamics in glasses Alessi L, Andreozzi L, Faetti M, Leporini D
3640 - 3652	Study of the nature of glass transitions in the plastic crystalline phases of cyclo-octanol, cycloheptanol, cyanoadamantane and cis-1,2-dimethylcyclohexane Tyagi M, Murthy SSN
3653 - 3658	A closer look at crystallization of parallel hard cubes Groh B, Mulder B
3659 - 3661	Precise determination of the critical percolation threshold for the three-dimensional "Swiss cheese" model using a growth algorithm Lorenz CD, Ziff RM
3662 - 3673	Raman free-induction-decay measurements in low viscosity and supercooled toluene: Vibrational dephasing by shear fluctuations Hubble HW, Lai TS, Berg MA
3674 - 3682	Ground state of the quantum anisotropic planar rotor model: A finite size scaling study of the orientational order-disorder phase transition Hetenyi B, Berne BJ
3683 - 3691	Ionic interactions in molten complex chlorides from vibrational dephasing Kirillov SA, Voyiatzis GA, Musiyenko IS, Photiadis GM, Pavlatou EA
3692 - 3702	Investigation of one- and two-dimensional vibrational density of states using two-phonon infrared absorption spectroscopy Jakob P
3703 - 3712	Ab initio investigation of the adsorption of benzene in mordenite Demuth T, Benco L, Hafner J, Toulhoat H, Hutschka F
3713 - 3726	The ice/water interface: Molecular dynamics simulations of the basal, prism, {20(2)over-bar1}, and {2(11)over-bar0} interfaces of ice Ih Hayward JA, Haymet ADJ
3727 - 3733	Atomistic computer simulation of the clay-fluid interface in colloidal laponite de Carvalho RJFL, Skipper NT
3734 - 3738	Domain patterns in ternary mixtures with different interfacial properties Ma YQ
3739 - 3751	Enhanced response properties of a chromophore physisorbed on a metal particle Corni S, Tomasi J
3752 - 3764	Microcalorimetric measurements of the heat of absorption of Pb on well-defined oxides: MgO(100) and p(2x1)-oxide on Mo(100) Starr DE, Bald DJ, Musgrove JE, Ranney JT, Campbell CT
3765 - 3769	Quasi-one- and two-dimensional transitions of gases adsorbed on nanotube bundles Gatica SM, Bojan MJ, Stan G, Cole MW
3770 - 3775	Formation of Liesegang patterns: Simulations using a kinetic Ising model Antal T, Droz M, Magnin J, Pekalski A, Racz Z
3776 - 3789	Does lattice vibration drive diffusion in zeolites? Kopelevich DI, Chang HC
3790 - 3799	Potential energy surfaces of image potential states Jorgensen S, Ratner MA, Mikkelsen KV
3800 - 3808	Wavefunctions and eigenvalues of image potential states Jorgensen S, Ratner MA, Mikkelsen KV
3809 - 3816	Gel-gel adhesion by tethered polymers Huang YB, Szleifer I, Peppas NA
3817 - 3822	Volume phase transitions of nematic gels under an external field Matsuyama A, Kato T
3823 - 3841	Simulation of protein folding by reaction path annealing Eastman P, Gronbech-Jensen N, Doniach S
3842 - 3847	Forced Rayleigh scattering studies of tracer diffusion in a nematic liquid crystal: The relevance of complementary gratings Spiegel DR, Thompson AL, Campbell WC
3848 - 3852	Observation of multiple step de-excitation in luminescent single conjugated polymers White JD, Hsu JH, Yang SC, Fann WS, Pern GY, Chen SA