Journal of Chemical Physics

Journal of Chemical Physics, Vol.116, No.24 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (55 articles)

10571 - 10576	New correlation energy functionals with explicit dependence on the number of electrons Perez-Jimenez AJ, Perez-Jorda JM, Pastor-Abia L, Sancho-Garcia JC
10577 - 10588	Semiclassical IVR treatment of reactive collisions Elran Y, Kay KG
10589 - 10597	Prediction of trapping rates in mixtures of partially absorbing spheres Kansal AR, Torquato S
10598 - 10605	Solution of phase space diffusion equations using interacting trajectory ensembles Donoso A, Martens CC
10606 - 10614	Novel generalized Born methods Lee MS, Salsbury FR, Brooks CL
10615 - 10625	Time-resolved x-ray diffraction: Statistical theory and its application to the photo-physics of molecular iodine Bratos S, Mirloup F, Vuilleumier R, Wulff M
10626 - 10635	Theoretical study of predissociation dynamics of HCN/DCN in their first absorption bands Xu DG, Xie DQ, Guo H
10636 - 10640	Selective dissociation of the stronger bond in HCN using an optical centrifuge Hasbani R, Ostojic B, Bunker PR, Ivanov MY
10641 - 10647	Reaction cross sections for the H+D-2(nu(0)=1)-> HD+D and D+H-2(nu(0)=1)-> DH+H systems. A multiconfiguration time-dependent Hartree (MCTDH) wave packet propagation study Sukiasyan S, Meyer HD
10648 - 10655	Photoabsorption spectra of icosahedral fullerenes: A semiempirical approach Iglesias-Groth S, Ruiz A, Breton J, Llorente JMG
10656 - 10663	Vector properties of S(P-3) and S(D-1) in the photodissociation of SH: Quantum interference and overlapping resonance Lee S, Sun HS, Kim B, Freed KF
10664 - 10673	New analytical potential energy surface for the CH4+H hydrogen abstraction reaction: Thermal rate constants and kinetic isotope effects Espinosa-Garcia J
10674 - 10683	Computational studies on the infrared vibrational spectra, thermodynamic properties, detonation properties, and pyrolysis mechanism of octanitrocubane Zhang J, Xiao HM
10684 - 10691	Nature of the interaction of paramagnetic atoms (A=N-4,P-4,O-3,S-3) with pi systems and C-60: A theoretical investigation of A center dot center dot center dot C6H6 and endohedral fullerenes A@C-60 Park JM, Tarakeshwar P, Kim KS, Clark T
10692 - 10703	The O(D-1)+H-2 reaction at 56 meV collision energy: A comparison between quantum mechanical, quasiclassical trajectory, and crossed beam results Aoiz FJ, Banares L, Castillo JF, Herrero VJ, Martinez-Haya B, Honvault P, Launay JM, Liu X, Lin JJ, Harich SA, Wang CC, Yang X
10704 - 10712	Hyperfine structure of the 1(3)Delta(g), 2(3)Pi(g), and 3(3)Sigma(+)(g) states of (LiLi)-Li-6-Li-7 Li L, Lazoudis A, Yi P, Liu YM, Huennekens J, Field RW, Lyyra AM
10713 - 10718	Fourier transform millimeter-wave spectroscopy of the deuterated vinyl radical, C2D3 Kim E, Yamamoto S
10719 - 10729	Ab initio theory and rotational spectra of linear carbon chains SiCnS Botschwina P, Sanz ME, McCarthy MC, Thaddeus P
10730 - 10738	Electric dipole moments and polarizabilities of single excess electron sodium fluoride clusters: Experiment and theory Rayane D, Compagnon I, Antoine R, Broyer M, Dugourd P, Labastie P, L'Hermite JM, Le Padellec A, Durand G, Calvo F, Spiegelman F, Allouche AR
10739 - 10743	Nuclear spin selection rule in the photochemical reaction of CH3 in solid parahydrogen Fushitani M, Momose T
10744 - 10752	The relative reactivity of the stretch-bend combination vibrations of CH4 in the Cl (P-2(3/2))+CH4 reaction Yoon S, Henton S, Zivkovic AN, Crim FF
10753 - 10759	Pump-probe dissociative ionization of NaI and CsI aggregated with CH3CN Stibbe DT, Charron E, Brenner V, Millie P, Suzor-Weiner A
10760 - 10771	Vector correlations and alignment parameters in the photodissociation of HF and DF Balint-Kurti GG, Orr-Ewing AJ, Beswick JA, Brown A, Vasyutinskii OS
10772 - 10786	Laboratory measurement of water nucleation using a laminar flow tube reactor Mikheev VB, Irving PM, Laulainen NS, Barlow SE, Pervukhin VV
10787 - 10793	Elastic properties of the rotator phases of pentacosane C25H52 Mukherjee PK
10794 - 10800	Critical behavior of the restricted primitive model revisited Caillol JM, Levesque D, Weis JJ
10801 - 10808	Nuclear dynamics in electronic ground and excited states probed by spectrally resolved four wave mixing Park JS, Joo T
10809 - 10815	Cluster structure and dynamics of liquid aluminum under cooling conditions Li H, Wang GH, Zhao JJ, Bian XF
10816 - 10824	Solubility isotope effects in aqueous solutions of methane Bacsik Z, Lopes JNC, Gomes MFC, Jancso G, Mink J, Padua AAH
10825 - 10832	Instantaneous normal mode analysis of Morse liquids Shah P, Chakravarty C
10833 - 10837	Quantum effects on the structure of water at constant temperature and constant atomic density Badyal YS, Price DL, Saboungi ML, Haeffner DR, Shastri SD
10838 - 10845	Localization of ferrocene in NaY zeolite by powder x-ray and neutron diffraction Kemner E, Overweg AR, van Eijck L, Fitch AN, Suard E, de Schepper IM, Kearley GJ
10846 - 10853	Adsorption and dissociation of O-2 on Ir(111) Xu Y, Mavrikakis M
10854 - 10860	High levels of alkali-metal storage in thin films of hexa-peri-hexabenzocoronene Keil M, Samori P, dos Santos DA, Birgerson J, Friedlein R, Dkhissi A, Watson M, Mullen K, Bredas JL, Rabe JP, Salaneck WR
10861 - 10868	Characterization of a model Ziegler-Natta catalyst for ethylene polymerization Schmidt J, Risse T, Hamann H, Freund HJ
10869 - 10876	Pore-size dependence of the self-diffusion of hexane in silica gels Baumert J, Asmussen B, Gutt C, Kahn R
10877 - 10881	Equilibrium size of circular domains in Langmuir monolayers Wurlitzer S, Fischer TM, Schmiedel H
10882 - 10889	Solvation forces and liquid-solid phase equilibria for water confined between hydrophobic surfaces Koga K
10890 - 10894	On entropic barriers for diffusion in zeolites: A molecular dynamics study Schuring A, Auerbach SM, Fritzsche S, Haberlandt R
10895 - 10901	Design of near-field optical probes with optimal field enhancement by finite difference time domain electromagnetic simulation Krug JT, Sanchez EJ, Xie XS
10902 - 10908	Cubic nonlinear optical response of a molecule in an inhomogeneous solvation environment: A response theory formalism Jorgensen S, Ratner MA, Mikkelsen KV
10909 - 10920	Calculating electron transport in a tight binding model of a field-driven molecular wire: Floquet theory approach Tikhonov A, Coalson RD, Dahnovsky Y
10921 - 10931	Ab initio study of vibrational anharmonic coupling effects in oligo(para-phenylenes) Heimel G, Somitsch D, Knoll P, Zojer E
10932 - 10937	Temperature and pressure dependence of the alpha-relaxation in polymethylphenylsiloxane Paluch M, Roland CM, Pawlus S
10938 - 10946	An improved chain extension algorithm and its application for various branched polymers Shida K, Ohno K, Kawazoe Y
10947 - 10958	The liquid-solid transition in a micellar solution of a diblock copolymer in water Castelletto V, Caillet C, Fundin J, Hamley IW, Yang Z, Kelarakis A
10959 - 10966	Lattice polymers with structured monomers: A Monte Carlo study of thermodynamic properties of melts and solutions Buta D, Freed KF
10967 - 10972	Toward establishing criteria for polymer imprinting using mean-field theory Srebnik S, Lev O
10973 - 10980	Effect of ionic mobility on the enhanced dielectric and electro-optic susceptibility of suspensions: Theory and experiments Arroyo FJ, Delgado AV, Carrique F, Jimenez ML, Bellini T, Mantegazza F
10981 - 10988	Comparison of colloidal effective charges from different experiments Wette P, Schope HJ, Palberg T
10989 - 10996	A theory of induced interaction between rotating particles in electrorheological fluids Gu GQ, Yu KW, Hui PM
10997 - 11010	Biochemical clocks and molecular noise: Theoretical study of robustness factors Gonze D, Halloy J, Gaspard P
11011 - 11027	Counterion-induced entropic interactions in solutions of strongly stretched, osmotic polyelectrolyte stars Jusufi A, Likos CN, Lowen H
11028 - 11038	Detailed atomistic Monte Carlo simulation of grafted polymer melts. I. Thermodynamic and conformational properties Daoulas KC, Terzis AF, Mavrantzas VG
11039 - 11040	Comment on "Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory treatment" [J. Chem. Phys. 114, 5149 (2001)] Cybulski SM, Bledson TM, Toczylowski RR