Journal of Chemical Physics

Journal of Chemical Physics, Vol.116, No.17 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (48 articles)

7335 - 7349	Combining semiclassical time evolution and quantum Boltzmann operator to evaluate reactive flux correlation function for thermal rate constants of complex systems Yamamoto T, Wang HB, Miller WH
7350 - 7361	Multidimensional discrete variable representation bases: Sinc functions and group theory Littlejohn RG, Cargo M
7362 - 7371	Application of the intermediate Hamiltonian valence-universal coupled-cluster method to the magnesium atom Malinowski P, Meissner L, Nowaczyk A
7372 - 7379	Polarization consistent basis sets. II. Estimating the Kohn-Sham basis set limit Jensen F
7380 - 7388	Charge transfer in small hydrogen bonded clusters van der Vaart A, Merz KM
7389 - 7399	Selective correlation scheme within diffusion quantum Monte Carlo Schautz F, Flad HJ
7400 - 7410	New formula for the bulk viscosity constructed from the interatomic potential and the pair distribution function Okumura H, Yonezawa F
7411 - 7423	Extension of the method of moments of coupled-cluster equations to excited states: The triples and quadruples corrections to the equation-of-motion coupled-cluster singles and doubles energies Kowalski K, Piecuch P
7424 - 7433	Nonlinear relaxation of polarization and optical susceptibility of dielectric particles under sudden change of external field direction Jones RB
7434 - 7451	Solving the Poisson equation for solute-solvent systems using fast Fourier transforms Peter C, van Gunsteren WF, Hunenberger PH
7452 - 7460	Ab initio studies of ClOx reactions. I. Kinetics and mechanism for the OH plus ClO reaction Zhu RS, Xu ZF, Lin MC
7461 - 7467	Resonances in the O(P-3) plus HCl reaction due to van der Waals minima Xie T, Wang DY, Bowman JM, Manolopoulos DE
7468 - 7472	Vibrationally resolved threshold photoelectron-photoion coincidence spectra of ArXe Yoshii H, Hayaishi T, Onuma T, Aoto T, Morioka Y, Ito K
7473 - 7485	Infrared-microwave double resonance spectroscopy of OCS in pure He-4 and mixed He-4/He-3 clusters Kunze M, Markwick PRL, Portner N, Reuss J, Havenith M
7486 - 7494	Theoretical study of excited state proton transfer in 3,6-bis(benzoxazolyl)pyrocatechol (BBPC) Zgierski MZ, Fernandez-Ramos A, Grabowska A
7495 - 7508	A theoretical study of the vibrational spectrum of the CS2 molecule Zuniga J, Bastida A, Requena A, Sibert EL
7509 - 7517	Theory of stimulated Raman adiabatic passage in a degenerated reaction system: Application to control of molecular handedness Ohta Y, Hoki K, Fujimura Y
7518 - 7525	Ab initio calculations of low-lying electronic states of vinyl chloride Chang JL, Chen YT
7526 - 7536	Theoretical characterization of the lowest-energy absorption band of pyrrole Roos BO, Malmqvist PA, Molina V, Serrano-Andres L, Merchan M
7537 - 7543	Ab initio line shape cross sections: On the need of off-the-energy shell calculation Boissoles J, Boulet C, Bruet X
7544 - 7557	Experimental and theoretical study of line mixing in NH3 spectra. I. Scaling analysis of parallel bands perturbed by He Hadded S, Thibault F, Flaud PM, Aroui H, Hartmann JM
7558 - 7563	Evolution of the charge localization process in xenon cluster ions: From tetramer to dimer cores as a function of cluster size Laarmann T, Kanaev A, von Haeften K, Wabnitz H, von Pietrowski R, Moller T
7564 - 7573	Calculations of rotation-vibration states with the z axis perpendicular to the plane: High accuracy results for H-3(+) Kostin MA, Polyansky OL, Tennyson J
7574 - 7582	Gas-phase ion/molecule reactions in octafluorocyclobutane Hiraoka K, Mizuno T, Eguchi D, Takao K, Iino T, Yamabe S
7583 - 7588	Quantitative investigation of the kinetic energy release in metastable decay reactions of (O-2)(n=2-10)(+) ions: Evidence for a change in the metastable decay mechanism as a function of cluster size Matt S, Parajuli R, Stamatovic A, Scheier P, Mark TD
7589 - 7598	Lattice models of ionic systems Kobelev V, Kolomeisky AB, Fisher ME
7599 - 7606	Design of strongly modulating pulses to implement precise effective Hamiltonians for quantum information processing Fortunato EM, Pravia MA, Boulant N, Teklemariam G, Havel TF, Cory DG
7607 - 7616	Probing molecular geometry of solids by nuclear magnetic resonance spin exchange at the n=0 rotational-resonance condition Tekely P, Gardiennet C, Potrzebowski MJ, Sebald A, Reichert D, Luz Z
7617 - 7620	Homogeneous nucleation rates of n-propanol in nitrogen measured in a piston-expansion tube Grassmann A, Peters F
7621 - 7626	C70Ph8 and C70Ph10: A computational and solid solution spectroscopic study Fanti M, Zerbetto F, Galaup JP, Rice JH, Birkett PR, Wachter N, Taylor R
7627 - 7636	Prediction of the phase behavior of acetonitrile and methanol with ab initio pair potentials. I. Pure components Sum AK, Sandler SI, Bukowski R, Szalewicz K
7637 - 7644	Prediction of the phase behavior of acetonitrile and methanol with ab initio pair potentials. II. The mixture Sum AK, Sandler SI, Bukowski R, Szalewicz K
7645 - 7655	Extending Wertheim's perturbation theory to the solid phase of Lennard-Jones chains: Determination of the global phase diagram Vega C, Blas FJ, Galindo A
7656 - 7665	Atomistic molecular dynamics simulation of diffusion in binary liquid n-alkane mixtures Harmandaris VA, Angelopoulou D, Mavrantzas VG, Theodorou DN
7666 - 7672	Many-particle diffusion in continuum: Influence of a periodic surface potential Lahtinen JM, Masin M, Laurila T, Ala-Nissila T, Chvoj Z
7673 - 7684	Dissociative chemisorption of CH4 on a cesiated Pt(111) surface studied by supersonic molecular beam scattering techniques Kondo T, Sasaki T, Yamamoto S
7685 - 7690	C-70 adsorbed on Cu(111): Metallic character and molecular orientation Goldoni A, Cepek C, Larciprete R, Sangaletti L, Pagliara S, Floreano L, Gotter R, Verdini A, Morgante A, Luo Y, Nyberg M
7691 - 7694	Droplet spreading: A Monte Carlo test of Tanner's law Milchev A, Binder K
7695 - 7703	Scattering from isolated molecules on metal surfaces: The relationship between elastic and inelastic intensities Choi BH, Graham AP, Tang KT, Toennies JP
7704 - 7713	The adsorption of acenes on rutile TiO2(110): A multi-technique investigation Reiss S, Krumm H, Niklewski A, Staemmler V, Woll C
7714 - 7718	Controlled polymer dewetting by physical confinement Suh KY, Park J, Lee HH
7719 - 7723	Controlling structural organization of binary phase-separating fluids through mobile particles Tang YL, Ma YQ
7724 - 7732	Equilibrium polymerization of cyclic carbonate oligomers. II. Role of multiple active sites Ballone P, Jones RO
7733 - 7743	Forces between aqueous nonuniformly charged colloids from molecular simulation Striolo A, Bratko D, Wu JZ, Elvassore N, Blanch HW, Prausnitz JM
7744 - 7751	Density-functional theory of the columnar phase of discotic Gay-Berne molecules Coussaert T, Baus M
7752 - 7759	Stochastic simulations of DNA in flow: Dynamics and the effects of hydrodynamic interactions Jendrejack RM, de Pablo JJ, Graham MD
7760 - 7765	On the interpretation of force extension curves of single protein molecules Makarov DE, Wang ZS, Thompson JB, Hansma HG
7766 - 7768	Comment on "Explicit-solvent molecular dynamics simulation at constant pH: Methodology and application to small amines" Baptista AM