Journal of Chemical Physics

Journal of Chemical Physics, Vol.113, No.21 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (57 articles)

9369 - 9372	Mixing quantum and classical dynamics using Bohmian trajectories Gindensperger E, Meier C, Beswick JA
9373 - 9376	Ionic dissociation at NaCl on frozen water Park SC, Pradeep T, Kang H
9377 - 9389	A set of standard enthalpies of formation for benchmarking, calibration, and parametrization of electronic structure methods Cioslowski J, Schimeczek M, Liu G, Stoyanov V
9390 - 9392	Simplified calculation of the stability matrix for semiclassical propagation Garashchuk S, Light JC
9393 - 9401	An assessment of theoretical methods for the study of transition metal carbonyl complexes: [Cl2Rh(CO)(2)](-) and [Cl2Rh(CO)](-) as case studies Hu ZM, Boyd RJ
9402 - 9409	Analytical calculation of nuclear magnetic resonance indirect spin-spin coupling constants at the generalized gradient approximation and hybrid levels of density-functional theory Helgaker T, Watson M, Handy NC
9410 - 9418	Nuclear spin-spin coupling constants from regular approximate relativistic density functional calculations. II. Spin-orbit coupling effects and anisotropies Autschbach J, Ziegler T
9419 - 9428	Two-center nonexchange integrals over Slater orbitals Barnett MP
9429 - 9442	Theory for determining alignment parameters of symmetric top molecule using (n+1) LIF Cong SL, Han KL, Lou NQ
9443 - 9455	Low-order scaling local correlation methods II: Splitting the Coulomb operator in linear scaling local second-order Moller-Plesset perturbation theory Hetzer G, Schutz M, Stoll H, Werner HJ
9456 - 9465	Theoretical studies of intersystem crossing effects in the O+H-2 reaction Hoffmann MR, Schatz GC
9466 - 9469	Metastable vibrationally excited HF (v=1) in helium nanodroplets Nauta K, Miller RE
9470 - 9478	Microsolvation of similar-sized aromatic molecules: Photoelectron spectroscopy of bithiophene-, azulene-, and naphthalene-water anion clusters Schiedt J, Knott WJ, Le Barbu K, Schlag EW, Weinkauf R
9479 - 9487	Theoretical study of the photodetachment spectroscopy of the IHBr and IDBr anions Kaledin A, Skokov S, Bowman JM, Morokuma K
9488 - 9496	Nonlinear wavepacket interferometry for polyatomic molecules Cina JA
9497 - 9509	An intramolecular theory of the mass-independent isotope effect for ozone. II. Numerical implementation at low pressures using a loose transition state Hathorn BC, Marcus RA
9510 - 9522	Semiclassical molecular dynamics simulations of intramolecular proton transfer in photoexcited 2-(2 '-hydroxyphenyl)-oxazole Guallar V, Batista VS, Miller WH
9523 - 9531	An ab initio study of the interaction in dimethylamine dimer and trimer Cabaleiro-Lago EM, Rios MA
9532 - 9539	Discovery of benzene cation in a very long-lived excited electronic state Kim MS, Kwon CH, Choe JC
9540 - 9548	Theoretical study of [Na(NH3)(n)](-) (n=1-4) Hashimoto K, Kamimoto T, Miura N, Okuda R, Daigoku K
9549 - 9561	Theoretical studies of the (X)over-tilde (2)Pi and (A)over-tilde (2)Sigma(+) states of He center dot SH and Ne center dot SH complexes Cybulski SM, Toczylowski RR, Lee HS, McCoy AB
9562 - 9566	Three-dimensional ab initio potential energy surface for He-O-2 Groenenboom GC, Struniewicz IM
9567 - 9576	Laser optogalvanic and jet spectroscopy of germylene (GeH2): New spectroscopic data for an important semiconductor growth intermediate Smith TC, Clouthier DJ, Sha W, Adam AC
9577 - 9585	Chiral discrimination in hydrogen-bonded complexes Portmann S, Inauen A, Luthi HP, Leutwyler S
9586 - 9592	Theoretical and experimental study of the A(2)Pi(u)-X-2 Pi(g) band system of C-7(-) Lakin NM, Pachkov M, Tulej M, Maier JP, Chambaud G, Rosmus P
9593 - 9597	Direct EELS observation of the oxidation states of Sm atoms in Sm@C-2n metallofullerenes (74 <= 2n <= 84) Okazaki T, Suenaga K, Lian YF, Gu ZN, Shinohara H
9598 - 9609	Nonlinear optical response in acceptor-substituted carotenoids: A theoretical study Balakina MY, Li J, Geskin VM, Marder SR, Bredas JL
9610 - 9621	Vibrational dynamics up to the dissociation threshold: A case study of two-dimensional HOCl Joyeux M, Sugny D, Lombardi M, Jost R, Schinke R, Skokov S, Bowman J
9622 - 9636	A combined crossed beam and ab initio investigation on the reaction of carbon species with C4H6 isomers. I. The 1,3-butadiene molecule, H2CCHCHCH2(X(1)A ') Hahndorf I, Lee HY, Mebel AM, Lin SH, Lee YT, Kaiser RI
9637 - 9648	A combined crossed beam and ab initio investigation on the reaction of carbon species with C4H6 isomers. II. The dimethylacetylene molecule, H3CCCCH3(X(1)A(1g)) Huang LCL, Lee HY, Mebel AM, Lin SH, Lee YT, Kaiser RI
9649 - 9657	Photofragmentation dynamics of the thiomethoxy radical Pushkarsky MB, Applegate BE, Miller TA
9658 - 9667	Quantum mechanical calculation of product state distributions for the O(D-1)+H-2 -> OH+H reaction on the ground electronic state surface Hankel M, Balint-Kurti GG, Gray SK
9668 - 9677	Site-specific dissociation dynamics of ethylene at 157 nm: Atomic and molecular hydrogen elimination Lin JJ, Wang CC, Lee YT, Yang XM
9678 - 9685	Multiple channel dynamics of the O+CH3F reaction Shu JI, Lin JJ, Lee YT, Yang XM
9686 - 9693	Alkali-helium exciplex formation on the surface of helium nanodroplets. I. Dispersed emission spectroscopy Reho J, Higgins J, Callegari C, Lehmann KK, Scoles G
9694 - 9701	Alkali-helium exciplex formation on the surface of helium nanodroplets. II. A time-resolved study Reho J, Higgins J, Lehmann KK, Scoles G
9702 - 9705	Dimensional crossover of diffusion-limited reaction in a quasi-one-dimensional lattice Lee JW
9706 - 9713	Dynamic light scattering with femtosecond laser pulses: Potential and limitations toward quasielastic nonlinear light scattering Clays K, Persoons A
9714 - 9721	A direct-dynamics study of the zwitterion-to-neutral interconversion of glycine in aqueous solution Fernandez-Ramos A, Smedarchina Z, Siebrand W, Zgierski MZ
9722 - 9726	Interfacial tension of electrolyte solutions Levin Y
9727 - 9732	Hydrogen bond thermodynamic properties of water from dielectric constant data Suresh SJ, Naik VM
9733 - 9740	Evaluation of small-angle scattering data of charged particles using the generalized indirect Fourier transformation technique Fritz G, Bergmann A, Glatter O
9741 - 9747	Molecular dynamics simulations of gas-liquid nucleation of Lennard-Jones fluid Laasonen K, Wonczak S, Strey R, Laaksonen A
9748 - 9758	Composition-dependent dynamical structures of 1-propanol-water mixtures determined by dynamical dielectric properties Sato T, Chiba A, Nozaki R
9759 - 9765	Importance sampling and theory of nonequilibrium solvation dynamics in water Geissler PL, Chandler D
9766 - 9771	Accurate partition function and thermodynamic data for water Vidler M, Tennyson J
9772 - 9777	Critical behavior of simple fluids confined by microporous materials Rzysko W, de Pablo JJ, Sokolowski S
9778 - 9787	Modeling benzene orientational randomization in Na-Y zeolite at finite loadings with kinetic Monte Carlo and master equation methods Blanco C, Saravanan C, Allen M, Auerbach SM
9788 - 9793	Electron paramagnetic resonance as a quantitative tool for the study of multiwalled carbon nanotubes Coleman JN, O'Brien DF, Dalton AB, McCarthy B, Lahr B, Barklie RC, Blau WJ
9794 - 9803	Melting of monolayer protected cluster superlattices Sandhyarani N, Antony MP, Selvam GP, Pradeep T
9804 - 9809	Computer simulation study of the local pressure in a spherical liquid-vapor interface El Bardouni H, Mareschal M, Lovett R, Baus M
9810 - 9821	Nucleation and growth in cluster dynamics: A quantitative test of the classical kinetic approach Granasy L, James PF
9822 - 9829	Bistability and formation of low work function areas in the O-2+H-2 reaction on a Rh(111) surface Schaak A, Imbihl R
9830 - 9836	Hydration structure and stability of Met-enkephalin studied by a three-dimensional reference interaction site model with a repulsive bridge correction and a thermodynamic perturbation method Kovalenko A, Hirata F, Kinoshita M
9837 - 9848	Structure factors for the simplest solvable model of polydisperse colloidal fluids with surface adhesion Gazzillo D, Giacometti A
9849 - 9862	Mixtures of charged colloids and nonadsorbing flexible polyelectrolytes: An integral equation study Ferreira PG, Dymitrowska M, Belloni L
9863 - 9873	Effects of polyethylene glycol on protein interactions Kulkarni AM, Chatterjee AP, Schweizer KS, Zukoski CF