Journal of Chemical Physics

Journal of Chemical Physics, Vol.116, No.9 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (46 articles)

3509 - 3520	Stationary tempering and the complex quadrature problem Sabo D, Doll JD, Freeman DL
3521 - 3532	Accurate core electron binding energy calculations using small 6-31G and TZV core hole optimized basis sets Carniato S, Millie P
3533 - 3539	Optimization of configuration interaction coefficients in multideterminant Jastrow-Slater wave functions Schautz F, Fahy S
3540 - 3553	Vibrational dynamics of large hot molecules in the collisionless gas phase Stromberg C, Myers DJ, Fayer MD
3554 - 3567	Dynamics of Coulomb explosion and kinetic energy release in clusters of heterocyclic compounds Card DA, Wisniewski ES, Folmer DE, Castleman AW
3568 - 3575	Potential energy surfaces of Lawrencium and Nobelium dihydrides (LrH2 and NoH2) Balasubramanian K
3576 - 3587	Scanning the potential energy surface of iron clusters: A novel search strategy Bobadova-Parvanova P, Jackson KA, Srinivas S, Horoi M, Kohler C, Seifert G
3588 - 3600	Experimental and theoretical investigation of microsolvation of Na+-ions in the gas phase by high resolution mass spectrometry and global cluster geometry optimization Hartke B, Charvat A, Reich M, Abel B
3601 - 3611	Photoelectron spectroscopy of Si2C3- and quantum chemistry of the linear Si2C3 cluster and its isomers Duan XF, Burggraf LW, Weeks DE, Davico GE, Schwartz RL, Lineberger WC
3612 - 3616	Rearrangement pathways of the water trimer and tetramer anions Alfonso DR, Jordan KD
3617 - 3625	State-to-state and total rotational energy transfer rate constants for CN(B-2 Sigma(+),v=0,N)+H-2, CN(X (2)Sigma(+),v=2,N)+H-2, D-2, and CN(X (2)Sigma(+),v=3,N)+NO Brunet SMK, Guo JZ, Carrington T, Filseth SV, Sadowski CM
3626 - 3634	Spectroscopic constants of MH and M-2 (M=Tl, E113, Bi, E115): Direct comparisons of four- and two-component approaches in the framework of relativistic density functional theory Liu WJ, van Wullen C, Wang F, Li LM
3635 - 3645	Electronic structure and bonding in unligated and ligated Fe-II porphyrins Liao MS, Scheiner S
3646 - 3658	Tuning the two-photon absorption response of quadrupolar organic molecules Zojer E, Beljonne D, Kogej T, Vogel H, Marder SR, Perry JW, Bredas JL
3659 - 3661	A new interpretation of the CrO- photoelectron detachment spectra Bauschlicher CW, Gutsev GL
3662 - 3669	Microwave electronic spectrum of the Ne center dot center dot center dot Ne+ long-range complex: The interaction potential Carrington A, Gammie DI, Page JC, Shaw AM, Hutson JM
3670 - 3675	Semiclassical calculations of energy level widths for the unimolecular dissociation of HN2 and DN2 Guo Y, Thompson DL
3676 - 3680	High-resolution inner-shell photoabsorption of the OH and OD free radicals Stranges S, Richter R, Alagia M
3681 - 3689	Strong electron correlations in cobalt valence tautomers LaBute MX, Kulkarni RV, Endres RG, Cox DL
3690 - 3699	Geometries and spectroscopic properties of silicon clusters (Si-5, Si-5(+), Si-5(-), Si-6, Si-6(+), and Si-6(-)) Zhao CY, Balasubramanian K
3700 - 3709	The reaction of C2H with H-2: Absolute rate coefficient measurements and ab initio study Peeters J, Ceursters B, Nguyen HMT, Nguyen MT
3710 - 3717	Observation and analysis of high-J o(1)-e(1) inter-state transitions in CH2DOH Mukhopadhyay I, Perry DS, Duan YB, Pearson JC, Albert S, Butler RAH, Herbst E, DeLucia FC
3718 - 3729	Soret and mass diffusion measurements and molecular dynamics simulations of n-pentane-n-decane mixtures Perronace A, Leppla C, Leroy F, Rousseau B, Wiegand S
3730 - 3738	Linear response properties for solvated molecules described by a combined multiconfigurational self-consistent-field/molecular mechanics model Poulsen TD, Ogilby PR, Mikkelsen KV
3739 - 3759	Calculations of nonlinear spectra of liquid Xe. I. Third-order Raman response Cao JS, Wu JL, Yang SL
3760 - 3776	Calculations of nonlinear spectra of liquid Xe. II. Fifth-order Raman response Cao JS, Yang SL, Wu JL
3777 - 3788	Saddle points and dynamics of Lennard-Jones clusters, solids, and supercooled liquids Doye JPK, Wales DJ
3789 - 3794	The liquid-glass transition of silica Coluzzi B, Verrocchio P
3795 - 3799	The vibrational properties of xenon hydrate: An inelastic incoherent neutron scattering study Gutt C, Baumert J, Press W, Tse JS, Janssen S
3800 - 3804	Adsorption structure of 1,4-cyclohexadiene on Si(001) Cho JH, Oh DH, Kim KS, Kleinman L
3805 - 3821	Xe nuclear magnetic resonance line shapes in nanochannels Jameson CJ, de Dios AC
3822 - 3827	Evidence of a tilted and herringbone structure in cadmium behenate Langmuir-Blodgett ultrathin films: Comparison with Langmuir monolayers Dupres V, Cantin S, Perrot F, Fontaine P, Goldmann M
3828 - 3833	The pump power dependence of the femtosecond relaxation of CdSe nanoparticles observed in the spectral range from visible to infrared Burda C, Link S, Mohamed MB, El-Sayed M
3834 - 3840	Ultrafast optical Kerr effect measurements of third-order nonlinearities in cross-conjugated iso-polydiacetylene oligomers Slepkov AD, Hegmann FA, Zhao YM, Tykwinski RR, Kamada K
3841 - 3855	Constructing accurate potential energy surfaces for a diatomic molecule interacting with a solid surface: H-2+Pt(111) and H-2+Cu(100) Olsen RA, Busnengo HF, Salin A, Somers MF, Kroes GJ, Baerends EJ
3856 - 3863	Crossover among structural motifs in transition and noble-metal clusters Baletto F, Ferrando R, Fortunelli A, Montalenti F, Mottet C
3864 - 3869	Polymorphous transformations in alkaline-earth silicates Liu JJ, Duan CG, Mei WN, Smith RW, Hardy JR
3870 - 3874	Chromium deposition on ordered alumina films: An x-ray photoelectron spectroscopy study of the interaction with oxygen Eriksson M, Sainio J, Lahtinen J
3875 - 3886	Liquid meniscus condensation in dip-pen nanolithography Jang JY, Schatz GC, Ratner MA
3887 - 3899	A neutron scattering study of orientational ordering in the smectic and nematic phases of the liquid crystal, 2('),3(')-difluoro-4-heptyl-4('')-nonyl p-terphenyl Hamley IW, Luckhurst GR, Richardson RM, Santos F
3900 - 3904	Mesoscopic description of a chemical bistable state Zhu R, Li QS
3905 - 3916	Intrachain correlation functions and shapes of homopolymers with different architectures in dilute solution Timoshenko EG, Kuznetsov YA, Connolly R
3917 - 3924	Simple approach to polyampholytes based on chain polarizabilities Khan MO, Akesson T, Jonsson B
3925 - 3934	Dynamic fragility in polymers: A comparison in isobaric and isochoric conditions Huang DH, Colucci DM, McKenna GB
3935 - 3946	Ab initio investigation of doping-enhanced electronic and vibrational second hyperpolarizability of polyacetylene chains Champagne B, Spassova M, Jadin JB, Kirtman B
3947 - 3956	Cluster size distribution of voids in a polymer melt Rane SS, Gujrati PD