Journal of Chemical Physics

Journal of Chemical Physics, Vol.109, No.24 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (63 articles)

10539 - 10542	Rotational spectrum of a salt-containing van der Waals complex: Ar-NaCl Mizoguchi A, Endo Y, Ohshima Y
10543 - 10558	Cavity size in reaction field theory Zhan CG, Chipman DM
10559 - 10569	Time- and frequency-resolved coherent two-dimensional IR spectroscopy: Its complementary relationship with the coherent two-dimensional Raman scattering spectroscopy Park K, Cho MH
10570 - 10579	Calibration and comparison of the Gaussian-2, complete basis set, and density functional methods for computational thermochemistry Petersson GA, Malick DK, Wilson WG, Ochterski JW, Montgomery JA, Frisch MJ
10580 - 10586	A quantum electrodynamical treatment of second harmonic generation through phase conjugate six-wave mixing: Polarization analysis Hands ID, Lin SJ, Meech SR, Andrews DL
10587 - 10593	Comparison of the performance of local, gradient-corrected, and hybrid density functional models in predicting infrared intensities Halls MD, Schlegel HB
10594 - 10602	Vibrational second hyperpolarizability of CH4-nFn molecules with n=0-4 Quinet O, Champagne B
10603 - 10611	One- and two-dimensional ensemble quantum computing in spin Liouville space Madi ZL, Bruschweiler R, Ernst RR
10612 - 10619	Patterns due to quintic kinetics in a diffusion-reaction system with global interaction Sheintuch M, Nekhamkina O
10620 - 10627	An information-entropic study of correlated densities of the water molecule Ho M, Weaver DF, Smith VH, Sagar RP, Esquivel RO, Yamamoto S
10628 - 10643	Global analytical potential hypersurfaces for large amplitude nuclear motion and reactions in methane. I. Formulation of the potentials and adjustment of parameters to ab initio data and experimental constraints Marquardt R, Quack M
10644 - 10656	Calculating frequency-dependent hyperpolarizabilities using time-dependent density functional theory van Gisbergen SJA, Snijders JG, Baerends EJ
10657 - 10668	Accurate density functional calculations on frequency-dependent hyperpolarizabilities of small molecules van Gisbergen SJA, Snijders JG, Baerends EJ
10669 - 10678	Size-consistent wave functions for nondynamical correlation energy: The valence active space optimized orbital coupled-cluster doubles model Krylov AI, Sherrill CD, Byrd EFC, Head-Gordon M
10679 - 10687	Charge transfer and fragmentation of liquid helium clusters that contain one or more neon atoms Ruchti T, Forde K, Callicoatt BE, Ludwigs H, Janda KC
10688 - 10691	On the Einstein-Stern model of rotational heat capacities Dahl JP
10692 - 10700	Hydrogenated and deuterated iron clusters: Infrared spectra and density functional calculations Knickelbein MB, Koretsky GM, Jackson KA, Pederson MR, Hajnal Z
10701 - 10706	An ab initio study of the mono- and difluorides of krypton Hoffman GJ, Swafford LA, Cave RJ
10707 - 10718	State-to-state inelastic scattering from vibrationally activated OH-H-2 complexes Hossenlopp JM, Anderson DT, Todd MW, Lester MI
10719 - 10726	Photodissociation dynamics of trifluoroethylene at 157 nm excitation Lin JJ, Hsu TC, Hwang DW, Lee YT, Yang X
10727 - 10731	Photoelectron spectroscopy of As-, As-2(-), As-3(-), As-4(-), and As-5(-) Lippa TP, Xu SJ, Lyapustina SA, Nilles JM, Bowen KH
10732 - 10739	Quantum mechanical study of the CH(v=2) overtone in 30-mode benzene Wyatt RE
10740 - 10753	Ultrafast multiphoton ionization dynamics and control of NaK molecules Davidsson J, Hansson T, Mukhtar E
10754 - 10766	Zero electron kinetic energy and photoelectron spectroscopy of the XeI- anion Lenzer T, Furlanetto MR, Asmis KR, Neumark DM
10767 - 10780	Coupling of a Jahn-Teller pseudorotation with a hindered internal rotation in an isolated molecule: 9-hydroxytriptycene Furlan A, Leutwyler S, Riley MJ
10781 - 10794	State-specific vibrational anharmonicities in cyclobutadiene and evidence for fast automerization by (C4H4)-C-12 Redington RL
10795 - 10805	An internal coordinate model of coupling between the torsion and C-H vibrations in methanol Wang XL, Perry DS
10806 - 10817	A fully relativistic Dirac-Hartree-Fock and second-order Moller-Plesset study of the lanthanide and actinide contraction Laerdahl JK, Faegri K, Visscher L, Saue T
10818 - 10822	Adiabatic electron affinity and ionization potential for BrO radical Francisco JS, Parthiban S, Lee TJ
10823 - 10837	Near-infrared absorption spectrum of the Ar-HD complex: Confrontation of theory with experiment Mrugala F, Moszynski R
10838 - 10846	Photodissociation dynamics of 1,1-difluoroethylene at 157 nm excitation Lin JJ, Wu SM, Hwang DW, Lee YT, Yang X
10847 - 10852	Ab initio study on the reaction mechanism of ozone with the chlorine atom Hwang DY, Mebel AM
10853 - 10863	Gas-phase ion chemistry and ab initio theoretical study of phosphine. II. Reactions of PH+ with PH3 Antoniotti P, Operti L, Rabezzana R, Tonachini G, Vaglio GA
10864 - 10872	The transition dipole moment function of the chlorine E0(g)(+)(P-3(2))-B-3 Pi 0(u)(+) system Bibinov NK, Davydov VK, Fateev AA, Kokh DB, Lugovoj EV, Ottinger C, Pravilov AM
10873 - 10884	Short-time charge motion in He-n(+) clusters Seong J, Janda KC, Halberstadt N, Spiegelmann F
10885 - 10892	Calculation of the rotation-vibration states of water up to dissociation Mussa HY, Tennyson J
10893 - 10904	Reactions of laser-ablated iron atoms with carbon monoxide: Infrared spectra and density functional calculations of FexCO, Fe(CO)(x), and Fe(CO)(x)(-) (x=1,2,3) in solid argon Zhou MF, Chertihin GV, Andrews L
10905 - 10913	Magnetic interactions between a [4Fe-4S](1+) cluster and a flavin mononucleotide radical in the enzyme trimethylamine dehydrogenase: A high-field electron paramagnetic resonance study Fournel A, Gambarelli S, Guigliarelli B, More C, Asso M, Chouteau G, Hille R, Bertrand P
10914 - 10920	Critical point and phase behavior of the pure fluid and a Lennard-Jones mixture Potoff JJ, Panagiotopoulos AZ
10921 - 10935	Ionic charging free energies: Spherical versus periodic boundary conditions Darden T, Pearlman D, Pedersen LG
10936 - 10939	alpha and beta process in the glass forming electrolyte solution LiCl-6H(2)O Maurin PO
10940 - 10947	Calculation of crystal and molecular structures of hexachlorobenzene C6Cl6 Thiery MM, Rerat C
10948 - 10957	Molecular dynamics of thiophene homologues investigated by femtosecond optical Kerr effect and low frequency Raman scattering spectroscopies Kamada K, Ueda M, Ohta K, Wang Y, Ushida K, Tominaga Y
10958 - 10969	Resonance Raman intensity analysis of a dicyanovinyl-azaadamantane: Mode-specific reorganization energies for charge-transfer and locally-excited states Lilichenko M, Tittelbach-Helmrich D, Verhoeven JW, Gould IR, Myers AB
10970 - 10975	Fractionated crystallization in a polydisperse mixture of hard spheres Bartlett P
10976 - 10983	Shattering of SiMe3+ during surface-induced dissociation Schultz DG, Hanley L
10984 - 10995	Theoretical characterization of divacancies at the surface and in bulk MgO Ojamae L, Pisani C
10996 - 11009	A molecular beam study of nonlinearity in the CO-induced surface restructuring of Ir{100} Ali T, Klotzer B, Walker AV, King DA
11010 - 11017	Theoretical study of CH4 photodissociation on Pd and Ni(111) surfaces Akinaga Y, Taketsugu T, Hirao K
11018 - 11026	New statistical mechanical treatment of systems near surfaces. IV. Surface and surface-induced capillary transitions in polymer solutions Chhajer M, Gujrati PD
11027 - 11031	A nest of structures in dynamics of cellulose diacetate in N,N-dimethylacetamide in quiescent solution state studied by dynamic light scattering Kawanishi H, Tsunashima Y, Horii F
11032 - 11042	Viscoelastic effects in three-dimensional microphase separation of block copolymers: Dynamic mean-field density functional approach Maurits NM, Zvelindovsky AV, Fraaije JGEM
11043 - 11050	Long-ranged relaxations in poly(ethylene oxide) melts: Evidence for network behavior Walkenhorst R, Selser JC, Piet G
11051 - 11060	Confined complex liquids: Passages, droplets, permanent deformations, and order-disorder transitions Holyst R, Oswald P
11061 - 11073	Two dimensional umbrella sampling techniques for the computer simulation study of helical peptides at thermal equilibrium: The 3K(I) peptide in vacuo and solution Samuelson SO, Martyna GJ
11074 - 11084	Effective pair potentials for charged colloidal particles Gonzalez-Mozuelos P, Carbajal-Tinoco MD
11085 - 11093	Suspensions of adhesive colloidal particles in sedimentation equilibrium in a planar pore Jamnik A
11094 - 11100	Inelastic neutron scattering of large molecular systems: The case of the original benzylic amide [2]catenane Caciuffo R, Degli Esposti A, Deleuze MS, Leigh DA, Murphy A, Paci B, Parker SF, Zerbetto F
11101 - 11108	Pairwise contact potentials are unsuitable for protein folding Vendruscolo M, Domany E
11109 - 11116	Size distributions of metal nanoparticles in polyelectrolyte gels Svergun DI, Shtykova EV, Dembo AT, Bronstein LM, Platonova OA, Yakunin AN, Valetsky PM, Khokhlov AR
11117 - 11128	Configurations of liquid crystalline polymers in nematic solvents Carri GA, Muthukumar M
11129 - 11130	On the electronic absorption spectrum of Cr4+ in Rb2CrF6 Pascual JL
11131 - 11131	An elementary description of nonlinear optical properties of octupolar molecules: Four-state model for guanidinium-type molecules (vol 108, pg 7114, 1998) Cho MH, Kim HS, Jeon SJ