Journal of Chemical Physics

Journal of Chemical Physics, Vol.108, No.9 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (50 articles)

3379 - 3382	Hydrogen-bonding topologies of indole-(water)(n) clusters from resonant ion-dip infrared spectroscopy Carney JR, Hagemeister FC, Zwier TS
3383 - 3385	A novel Monte Carlo algorithm for polarizable force fields: Application to a fluctuating charge model for water Martin MG, Chen B, Siepmann JI
3386 - 3399	The distribution of density matrices over potential-energy surfaces: Application to the calculation of the far-wing line shapes for CO2 Ma Q, Tipping RH
3400 - 3408	Comparison of spin-orbit configuration interaction methods employing relativistic effective core potentials for the calculation of zero-field splittings of heavy atoms with a P-2(o) ground state Buenker RJ, Alekseyev AB, Liebermann HP, Lingott R, Hirsch G
3409 - 3415	The relativistic Fock-space coupled-cluster method for molecules: CdH and its ions Eliav E, Kaldor U, Hess BA
3416 - 3423	Direct evaluation of the equilibrium distribution of physical clusters by a grand canonical Monte Carlo simulation Kusaka I, Wang ZG, Seinfeld JH
3424 - 3430	Electronic extracule moments of atoms in position and momentum spaces Koga T, Matsuyama H
3431 - 3444	Complex trajectory method in semiclassical propagation of wave packets Boiron M, Lombardi M
3445 - 3452	Vibronic dependence of the (B)over-tilde state lifetimes of CH3I and CD3I using femtosecond photoionization spectroscopy Baronavski AP, Owrutsky JC
3453 - 3457	Ag-5 is a planar trapezoidal molecule Haslett TL, Bosnick KA, Moskovits M
3458 - 3464	Resonance ionization spectroscopy of cyanogen Velazquez J, Cool TA
3465 - 3478	Laser-induced fluorescence spectroscopy of the C4H and C4D radicals in a supersonic jet Hoshina K, Kohguchi H, Ohshima Y, Endo Y
3479 - 3488	Description of ligand field splitting in terms of density functional theory: Calculations of the split levels of the F-2(5/2) and F-2(7/2) subterms in CeO and CeF under the weak field coupling scheme Dai DD, Li LM, Ren J, Whangbo MH
3489 - 3497	Quantum mechanical calculation of the rate constant for the reaction H+O-2 -> OH+O Viel A, Leforestier C, Miller WH
3498 - 3503	Density functional study of endohedral complexes M@C-60 (M=Li, Na, K, Be, Mg, Ca, La, B, Al): Electronic properties, ionization potentials, and electron affinities Broclawik E, Eilmes A
3504 - 3508	Fourier transform infrared observation of the nu(1)(sigma) mode of linear SiCH in Ar at 10 K Han DS, Rittby CML, Graham WRM
3509 - 3516	Quantum dynamics study of H-2+CN -> HCN+H reaction in full dimensions Zhu W, Zhang JZH, Zhang YC, Zhang YB, Zhan LX, Zhang SL, Zhang DH
3517 - 3521	Relativistic ab-initio calculations on PdH and PdD: The rovibronic spectra and rotational splittings Fleig T, Marian CM
3522 - 3530	Experimental and theoretical study of the AlNe complex Yang X, Dagdigian PJ, Alexander MH
3531 - 3536	Far-infrared and combination-band spectra of the ring-puckering and ring-flapping vibrations of phthalan: A failure of the one-dimensional model Klots T, Sakurai S, Laane J
3537 - 3542	Two-dimensional vibrational potential-energy surface for phthalan: The effect of large coupling on vibrational quantum states Sakurai S, Meinander N, Laane J
3543 - 3553	Intermolecular energy transfer probabilities from trajectory calculations: A new approach Bernshtein V, Oref I
3554 - 3565	Ab initio potential energy surface and infrared spectra of H-2-CO and D-2-CO vanderWaals complexes Jankowski P, Szalewicz K
3566 - 3573	Reactive scattering of highly vibrationally excited oxygen molecules: Ozone formation? Lauvergnat D, Clary DC
3574 - 3584	The kinkiness of cumulenones: H2C3O, H2C4O, and H2C5O East ALL
3585 - 3590	Two-pulse coherent control of electronic branching in Li-2 photodissociation Abrashkevich DG, Shapiro M, Brumer P
3591 - 3597	Bonding and structure of Y3C2 and Y3C2+ Yang DS, Zgierski MZ, Hackett PA
3598 - 3607	Development of a potential function for describing the properties of HCN clusters Cabaleiro-Lago EM, Rios MA
3608 - 3619	Kinetic theory of band shapes in molecular spectra of gases: Application to band wings Filippov NN, Tonkov MV
3620 - 3625	Activated chemistry in the presence of a strongly symmetrically coupled vibration Antoniou D, Schwartz SD
3626 - 3629	Empirical exponent law of the second-order hyperpolarizability in small armchair and zig-zag nanotubes Xie RH
3630 - 3647	Spurious cooperativity in alkylated succinic acids Ben-Naim A
3648 - 3659	Density functional analysis of C-13 and H-1 chemical shifts and bonding in mercurimethanes and organomercury hydrides: The role of scalar relativistic, spin-orbit, and substituent effects Kaupp M, Malkina OL
3660 - 3677	Kinetic model of coupled nonequilibrium condensation and radiative excitation of water molecules Itkin AL
3678 - 3682	One-fluid theory of liquid-vapor surface tension in simple multi-component mixtures Kalikmanov VI
3683 - 3693	Structure of multi-component hard-sphere mixtures Yuste SB, Santos A, de Haro ML
3694 - 3708	On the kinetic theory of rarefied gas suspensions Gladkov MY, Heinz U
3709 - 3715	Thermodynamics of the associative mean spherical approximation for the fluid of dimerizing particles Kalyuzhnyi YV, Holovko MF
3716 - 3721	Variety of wetting behaviors at the free surface of isotropic liquid crystals Lucht R, Bahr C, Heppke G, Goodby JW
3722 - 3730	Dissociative chemisorption of CH4 on Ni: The role of molecular orientation Carre MN, Jackson B
3731 - 3739	The thermodynamics of nitrogen adsorption on nickel clusters: Ni-19-Ni-71 Parks EK, Nieman GC, Kerns KP, Riley SJ
3740 - 3749	Mathematical modeling of the NO+H-2/Pt(100) reaction: "Surface explosion," kinetic oscillations, and chaos Makeev AG, Nieuwenhuys BE
3750 - 3764	Bond-selective dissociation of alkanethiol based self-assembled monolayers absorbed on gold substrates, using low-energy electron beams Olsen C, Rowntree PA
3765 - 3787	Simulation of the athermal coarsening of composites structured by a uniaxial field Martin JE, Anderson RA, Tigges CP
3788 - 3797	Contribution of capillary waves to the interfacial correlation function Stecki J
3798 - 3804	Mass density of polystyrene thin films measured by twin neutron reflectivity Wallace WE, Tan NCB, Wu WL, Satija S
3805 - 3812	The pulsed electron-electron double resonance and "2+1" electron spin echo study of the oriented oxygen-evolving and Mn-depleted preparations of photosystem II Astashkin AV, Hara H, Kawamori A
3813 - 3826	Analytic integral equation theory for the critical properties of homopolymer fluids Chatterjee AP, Schweizer KS
3827 - 3834	Clear-cut experimental observation of the capillary wave to elastic wave crossover in concentrated polymer solutions Huang QR, Wang CH, Deng NJ
3835 - 3843	Phase diagram of a lyotropic mixture sodium bis (2 ethylhexyl) sulfosuccinate/dodecanol/water: Reverse micellar, cylindrical, lamellar, and sponge phases Magalhaes M, Pusiol D, Ramia ME, Neto AMF