Journal of Chemical Physics

Journal of Chemical Physics, Vol.113, No.9 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (59 articles)

3487 - 3491	The case for a reactive resonance in F+H-2 Chao SD, Skodje RT
3492 - 3495	An Ewald summation based multipole method Duan ZH, Krasny R
3496 - 3498	Estimating the overlap of an approximate with the exact wave function by quantum Monte Carlo methods Hornik M, Snajdr M, Rothstein SM
3499 - 3502	Dielectric relaxation of supercritical water: Computer simulations Skaf MS, Laria D
3503 - 3509	Ensemble dependence of the transient fluctuation theorem Searles DJ, Evans DJ
3510 - 3518	Quantum control of chemical reaction dynamics in a classical way Umeda H, Fujimura Y
3519 - 3524	Structure optimization via free energy gradient method: Application to glycine zwitterion in aqueous solution Okuyama-Yoshida N, Kataoka K, Nagaoka M, Yamabe T
3525 - 3529	Coarse-grained Ginzburg-Landau free energy for Lennard-Jones systems Gracheva ME, Rickman JM, Gunton JD
3530 - 3547	Nuclear magnetic resonance spin-spin coupling constants from coupled perturbed density functional theory Sychrovsky V, Grafenstein J, Cremer D
3548 - 3560	Second-order perturbation corrections to singles and doubles coupled-cluster methods: General theory and application to the valence optimized doubles model Gwaltney SR, Sherrill CD, Head-Gordon M, Krylov AI
3561 - 3572	Gauge-origin independent magneto-optical activity within coupled cluster response theory Coriani S, Hattig C, Jorgensen P, Helgaker T
3573 - 3590	Development of reference states for use in absolute free energy calculations of atomic clusters with application to 55-atom Lennard-Jones clusters in the solid and liquid states Amon LM, Reinhardt WP
3591 - 3601	High resolution molecular beam study of the origin bands of the (A)over-tilde(2)Pi-(X)over-tilde(2)Sigma(+) and (A)over-tilde ''(2)Pi(1/2)-(X)over-tilde(2)Sigma(+) systems of yttrium imide ((YNH)-N-14, (YNH)-N-15, and (YND)-N-14) Jakubek ZJ, Simard B, Niki H, Balfour WJ
3602 - 3608	Low-energy electron scattering cross section for the production of CO within condensed acetone Lepage M, Michaud M, Sanche L
3609 - 3614	Characterization of nuclear wave packets describing molecular photodissociation Lein M, Erdmann M, Engel V
3615 - 3620	The structure and properties of H3+Arn (n=1-9) cations Kaczorowska M, Roszak S, Leszczynski J
3621 - 3632	Spectroscopy and energy relaxation processes of Hg-doped solid neon, argon, and xenon Helbing J, Chergui M, Haydar A
3633 - 3640	Reactive excitation functions for F plus p-H-2/n-H-2/D-2 and the vibrational branching for F+HD Dong F, Lee SH, Liu K
3641 - 3650	Infrared absorption spectra by H-2-He collisional complexes: The effect of the anisotropy of the interaction potential Gustafsson M, Frommhold L, Meyer W
3651 - 3657	Photodissociation of the acetone cation at 355 nm using the velocity imaging technique Jackson WM, Xu DD
3658 - 3669	Toluene: Structure, dynamics, and barrier to methyl group rotation in its electronically excited state. A route to IVR Borst DR, Pratt DW
3670 - 3680	Quantum state-resolved reactive scattering of F+CH4 -> HF(v,J)+CH3: Nascent HF(v,J) product state distributions Harper WW, Nizkorodov SA, Nesbitt DJ
3681 - 3685	Forward-backward semiclassical dynamics in the interaction representation Shao J, Makri N
3686 - 3689	Translational and rotational motion of isolated water molecules in nitromethane studied using O-17 NMR Price WS, Ide H, Arata Y
3690 - 3696	The structure of liquid and supercritical deuterium fluoride from neutron scattering using high-pressure techniques Pfleiderer T, Waldner I, Bertagnolli H, Todheide K, Fischer HE
3697 - 3703	Cluster Monte Carlo simulations of phase transitions and critical phenomena in zeolites Dukovski I, Machta J, Saravanan C, Auerbach SM
3704 - 3718	The laminar flow tube reactor as a quantitative tool for nucleation studies: Experimental results and theoretical analysis of homogeneous nucleation of dibutylphthalate Mikheev VB, Laulainen NS, Barlow SE, Knott M, Ford IJ
3719 - 3722	On the relationships among special temperatures for supercooled liquids: A configuration space analysis Mohanty U, Diezemann G, Fourkas JT
3723 - 3733	A detailed test of mode-coupling theory on all time scales: Time domain studies of structural relaxation in a supercooled liquid Hinze G, Brace DD, Gottke SD, Fayer MD
3734 - 3740	Continuum modeling of multi-mode vibronic excitations in near-edge x-ray absorption fine structure spectra Privalov T, Plashkevych O, Gel'mukhanov F, Agren H
3741 - 3748	Dynamics of solitary water in benzene and hexafluorobenzene: An infrared and Raman study Besnard M, Danten Y, Tassaing T
3749 - 3756	Temperature dependence of the dielectric function of C6H6(I) and C6H5CH3(I) measured with THz spectroscopy Ronne C, Jensby K, Loughnane BJ, Fourkas J, Nielsen OF, Keiding SR
3757 - 3765	The structure of liquid and supercritical benzene as studied by neutron diffraction and molecular dynamics Tassaing T, Cabaco MI, Danten Y, Besnard M
3766 - 3771	Dimerization and solvation equilibria: The direct correlation function Mileva E, Evans GT
3772 - 3779	Scattering on triply periodic minimal surfaces - the effect of the topology, Debye-Waller, and molecular form factors Garstecki P, Holyst R
3780 - 3791	Manipulation of adsorbates with electric fields Saalfrank P
3792 - 3801	Rate equations for collision-induced desorption and abstraction in the reaction system H(g)+D/Si(100)-> D-2,HD at 573 K Khanom F, Shimokawa S, Inanaga S, Namiki A, N-Gamo M, Ando T
3802 - 3807	Hole transport in polyphenylenevinylene-ether under bulk photoexcitation and sensitized injection Im C, Bassler H, Rost H, Horhold HH
3808 - 3813	Fragmentation and ion-scattering in the low-energy collisions of small silver cluster ions (Ag-n(+): n=1-4) with a highly oriented pyrolytic graphite surface Tai Y, Yamaguchi W, Maruyama Y, Yoshimura K, Murakami J
3814 - 3821	Tight binding molecular dynamics studies of boron assisted nanotube growth Hernandez E, Ordejon P, Boustani I, Rubio A, Alonso JA
3822 - 3828	Line tension in Langmuir monolayers probed by point forces Wurlitzer S, Steffen P, Wurlitzer M, Khattari Z, Fischer TM
3829 - 3838	Electro- and magneto-rheology of nematic liquid crystals: Experiment and nonequilibrium molecular dynamics computer simulation Eich A, Wolf BA, Bennett L, Hess S
3839 - 3853	Photodissociation of methyl nitrite on Ag(111): Nitric oxide ejection dynamics Fieberg JE, White JM
3854 - 3863	Simulations of anisotropic front propagation in the H-2+O-2 reaction on a Rh(110) surface Makeev A, Imbihl R
3864 - 3867	Local electron distribution of N-2 adsorbed on a Ni(111) surface probed by metastable impact electron spectroscopy Masuda S, Suzuki R, Aoki M
3868 - 3873	Tracer surface diffusion at high pressures: Molecular-dynamics study Zeiri Y
3874 - 3881	Sample morphology and porosity in electron stimulated desorption: N-2(*) from N-2 adsorbed onto nanoscale ice films Vichnevetski E, Bass AD, Sanche L
3882 - 3893	Spatial and energetic-entropic decomposition of surface tension in lipid bilayers from molecular dynamics simulations Lindahl E, Edholm O
3894 - 3900	Adsorption of a correlated random copolymer chain at a liquid-liquid interface Denesyuk NA, Erukhimovich IY
3901 - 3908	The melting point of chain polymers Hu WB
3909 - 3915	Electrophoresis simulated with the cage model for reptation van Heukelum A, Beljaars HRW
3916 - 3925	Double critical behavior and micellar size effect in the multicomponent surfactant solution Isojima T, Fujii S, Kubota K, Hamano K
3926 - 3927	Potential energy surfaces and coordinate dependence Wales DJ
3928 - 3928	What is the best semiclassical method for photochemical dynamics of systems with conical intersections? (vol 109, pg 3321, 1998) Topaler MS, Allison TC, Schwenke DW, Truhlar DG
3929 - 3929	Energetic and structural features of the CH4+O(P-3)-> CH3+OH abstraction reaction: Does perturbation theory from a multiconfiguration reference state (finally) provide a balanced treatment of transition states? - (vol 111, pg 10046, 1999) Roberto-Neto O, Machado FBC, Truhlar DG
3930 - 3930	Quantum free-energy calculations: A three-dimensional test case (vol 97, pg 3668, 1992) Topper RQ, Tawa GJ, Truhlar DG
3930 - 3930	Density functional solvation model based on CM2 atomic charges (vol 109, pg 9117, 1998) Zhu TH, Li JB, Hawkins GD, Cramer CJ, Truhlar DG
3931 - 3931	Infinite basis limits in electronic structure theory (vol 111, pg 2921, 1999) Fast PL, Sanchez ML, Truhlar DG
3931 - 3931	Depletion interactions in lyotropic nematics (vol 112, pg 9132, 2000) van der Schoot P