Journal of Chemical Physics

Journal of Chemical Physics, Vol.120, No.8 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (58 articles)

3527 - 3530	Molecular dynamics of glucose in solution: A quasielastic neutron scattering study Smith LJ, Price DL, Chowdhuri Z, Brady JW, Saboungi ML
3531 - 3534	Gas-phase reactions of organic radicals and diradicals with ions Zhang X, Bierbaum VM, Ellison GB, Kato S
3535 - 3543	Direct determination of multipole moments of Cartesian Gaussian functions in spherical polar coordinates Choi CH
3544 - 3554	Density functional calculations of the vibronic structure of electronic absorption spectra Dierksen M, Grimme S
3555 - 3562	Perturbation expansion theory corrected from basis set superposition error. I. Locally projected excited orbitals and single excitations Nagata T, Iwata S
3563 - 3578	Assessing the efficiency of free energy calculation methods Rodriguez-Gomez D, Darve E, Pohorille A
3579 - 3585	"Spectral implementation" for creating a labeled pseudo-pure state and the Bernstein-Vazirani algorithm in a four-qubit nuclear magnetic resonance quantum processor Peng XH, Zhu XW, Fang XM, Feng M, Liu ML, Gao KL
3586 - 3597	Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method Nangia S, Jasper AW, Miller TF, Truhlar DG
3598 - 3603	Relativistic hydrodynamics of magnetic and dielectric fluids in interaction with the electromagnetic field Felderhof BU
3604 - 3618	Determination of the proton tunneling splitting of the vinyl radical in the ground state by millimeter-wave spectroscopy combined with supersonic jet expansion and ultraviolet photolysis Tanaka K, Toshimitsu M, Harada K, Tanaka T
3619 - 3629	Theoretical study of the hydrogen atom transfer in the heterodimer indole-ammonia and comparison with experimental results Ritze HH, Lippert H, Stert V, Radloff W, Hertel IV
3630 - 3634	Intermolecular complexes of HArF and HKrF with CO McDowell SAC
3635 - 3641	Probe of bending motion following the 1s(-1)pi(*) excitation of N2O Machida M, Lavollee M, Randrianjafisoa J, Laurent G, Nagoshi M, Okada K, Koyano I, Saito N
3642 - 3647	Properties of selected diatomics using variational Monte Carlo methods Datta S, Alexander SA, Coldwell RL
3648 - 3656	Modeling benzene with single-site potentials from ab initio calculations: A step toward hybrid models of complex molecules Cacelli I, Cinacchi G, Prampolini G, Tani A
3657 - 3664	Ultrafast nonadiabatic dynamics: Quasiclassical calculation of the transient photoelectron spectrum of I-2(-)center dot(CO2)(8) Yu N, Margulis CJ, Coker DF
3665 - 3678	Statisticodynamical approach of state distributions in the products of four-atom planar unimolecular reactions. I. Formal developments for conserved vibrations Bonnet L, Larregaray P, Rayez JC
3679 - 3687	Statisticodynamical approach of state distributions in the products of four-atom planar unimolecular reactions. II. Validation and distribution shape analysis in the barrier case Bonnet L, Larregaray P, Rayez JC
3688 - 3698	Critical evaluation of approximate quantum decoherence rates for an electronic transition in methanol solution Turi L, Rossky PJ
3699 - 3705	Searching for nanostructures of the cubic mesophase of liquid crystal molecules, BABH8 Yoneya M, Nishikawa E, Yokoyama H
3706 - 3715	Tunneling chemical reactions in solid parahydrogen: Direct measurement of the rate constants of R+H-2 -> RH+H (R=CD3,CD2H,CDH2,CH3) at 5 K Hoshina H, Fushitani M, Momose T, Shida T
3716 - 3725	Momentum representation of the solute/bath interaction in the dynamic theory of chemical processes in condensed phase Basilevsky MV, Davidovich GV, Voronin AI
3726 - 3731	Thermal relaxation of glycerol and propylene glycol studied by photothermal spectroscopy Bentefour EH, Glorieux C, Chirtoc M, Thoen J
3732 - 3743	Hybrid diatomics-in-molecules-based quantum mechanical/molecular mechanical approach applied to the modeling of structures and spectra of mixed molecular clusters Ar-n(HCl)(m) and Ar-n(HF)(m) Bochenkova AV, Suhm MA, Granovsky AA, Nemukhin AV
3744 - 3748	Nonequilibrium thermodynamic description of the three-phase contact line Bedeaux D
3749 - 3758	Multicomponent nucleation: Thermodynamically consistent description of the nucleation work Kashchiev D
3759 - 3764	Connection between the observable and centroid structural properties of a quantum fluid: Application to liquid para-hydrogen Blinov N, Roy PN
3765 - 3769	Thermal conductivity of solid argon from molecular dynamics simulations Tretiakov KV, Scandolo S
3770 - 3776	Determination of solvation free energies by adaptive expanded ensemble molecular dynamics Aberg KM, Lyubartsev AP, Jacobsson SP, Laaksonen A
3777 - 3786	Adiabatic population transfer in a liquid: Taking advantage of a decaying target state Gong JB, Rice SA
3787 - 3798	Second harmonic generation second hyperpolarizability of water calculated using the combined coupled cluster dielectric continuum or different molecular mechanics methods Kongsted J, Osted A, Mikkelsen KV, Christiansen O
3799 - 3810	Atomic oxygen reactions with semifluorinated and n-alkanethiolate self-assembled monolayers Wagner AJ, Wolfe GM, Fairbrother DH
3811 - 3816	Performance of the tau-dependent functionals in predicting the magnetic coupling of ionic antiferromagnetic insulators Ciofini I, Illas F, Adamo C
3817 - 3821	Phase stability of nanocarbon in one dimension: Nanotubes versus diamond nanowires Barnard AS, Snook IK
3822 - 3826	Elasticity of polyelectrolyte multilayer microcapsules Lulevich VV, Andrienko D, Vinogradova OI
3827 - 3840	Low-temperature dynamics of weakly localized Frenkel excitons in disordered linear chains Bednarz M, Malyshev VA, Knoester J
3841 - 3846	Thermal expansion and impurity effects on lattice thermal conductivity of solid argon Chen YF, Lukes JR, Li DY, Yang JK, Wu YH
3847 - 3854	Analysis of the phase transitions in alkyl-mica by density and pressure profiles Heinz H, Paul W, Suter UW, Binder K
3855 - 3863	Transport properties of nitrogen in single walled carbon nanotubes Sokhan VP, Nicholson D, Quirke N
3864 - 3870	Water formation on Pd(111) by reaction of oxygen with atomic and molecular hydrogen Pauer G, Winkler A
3871 - 3879	Oxide-free oxygen incorporation into Ru(0001) Blume R, Niehus H, Conrad H, Bottcher A
3880 - 3886	Surface vibrations in alkanethiol self-assembled monolayers of varying chain length Rosenbaum AW, Freedman MA, Darling SB, Popova I, Sibener SJ
3887 - 3892	A test of the method of images at the surface of molecular materials Eilmes A, Munn RW
3893 - 3907	A polarizable continuum model for molecules at diffuse interfaces Frediani L, Cammi R, Corni S, Tomasi J
3908 - 3918	Picosecond acoustic transmission measurements. I. Transient grating generation and detection of acoustic responses in thin metal films Slayton RM, Nelson KA
3919 - 3930	Picosecond acoustic transmission measurements. II. Probing high frequency structural relaxation in supercooled glycerol Slayton RM, Nelson KA
3931 - 3948	Abstractive dissociation of oxygen over Al(111): A nonadiabatic quantum model Katz G, Kosloff R, Zeiri Y
3949 - 3956	Morphology of microphase separated domains in rod-coil copolymer melts Yamazaki N, Motoyama M, Nonomura M, Ohta T
3957 - 3968	Computer simulation study of the global phase behavior of linear rigid Lennard-Jones chain molecules: Comparison with flexible models Galindo A, Vega C, Sanz E, MacDowell LG, de Miguel E, Blas FJ
3969 - 3982	Interaction between charged anisotropic macromolecules: Application to rod-like polyelectrolytes Chapot D, Bocquet L, Trizac E
3983 - 3989	Coupled folding-binding versus docking: A lattice model study Gupta N, Irback A
3990 - 3996	Elastic moduli of multiblock copolymers in the lamellar phase Thompson RB, Rasmussen KO, Lookman T
3997 - 4003	Patch size effect on diffusion and incorporation in dilute suspension of partially active spheres Lu SY
4004 - 4011	Competition between compaction of single chains and bundling of multiple chains in giant DNA molecules Iwataki T, Kidoaki S, Sakaue T, Yoshikawa K, Abramchuk SS
4012 - 4023	Static properties of end-tethered polymers in good solution: A comparison between different models Kreer T, Metzger S, Muller M, Binder K, Baschnagel J
4024 - 4031	Growth dynamics of isotactic polypropylene single crystals during isothermal crystallization from a miscible polymeric solvent Mehta R, Keawwattana W, Kyu T
4032 - 4038	Diffusion-diffusion correlation and exchange as a signature for local order and dynamics Callaghan PT, Furo I
4039 - 4045	Linear viscoelastic analysis of formation and relaxation of azobenzene polymer gratings Saphiannikova M, Geue TM, Henneberg O, Morawetz K, Pietsch U