Journal of Chemical Physics

Journal of Chemical Physics, Vol.111, No.17 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (62 articles)

7697 - 7700	Quasiresonant vibration-rotation transfer: A kinematic interpretation McCaffery AJ
7701 - 7704	The projection of a mechanical system onto the irreversible generalized Langevin equation Hernandez R
7705 - 7712	Density functional theory with fractionally occupied frontier orbitals and the instabilities of the Kohn-Sham solutions for defining diradical transition states: Ring-opening reactions Goddard JD, Orlova G
7713 - 7726	Wave packet dynamics of pulsed laser catalysis in two dimensions Vardi A, Shapiro M
7727 - 7735	Anisotropic intermolecular interactions in van der Waals and hydrogen-bonded complexes: What can we get from density functional calculations? Milet A, Korona T, Moszynski R, Kochanski E
7736 - 7747	Variational nonequilibrium thermodynamics of reaction-diffusion systems. I. The information potential Gaveau B, Moreau M, Toth J
7748 - 7757	Variational nonequilibrium thermodynamics of reaction-diffusion systems. II. Path integrals, large fluctuations, and rate constants Gaveau B, Moreau M, Toth J
7758 - 7765	Large two-photon absorption cross sections in two-dimensional, charge-transfer, cumulene-containing aromatic molecules Norman P, Luo Y, Agren H
7766 - 7773	The potential energy surface of the (N2O center dot H2O)(+) cluster cation Stevens JE, Holthausen MC, Morokuma K
7774 - 7781	Aligning molecules with intense nonresonant laser fields Larsen JJ, Sakai H, Safvan CP, Wendt-Larsen I, Stapelfeldt H
7782 - 7788	Quantum calculations of highly excited vibrational spectrum of sulfur dioxide. III. Emission spectra from the (C)over-tilde(1) B-2 state Xie DQ, Ma GB, Guo H
7789 - 7800	Quantitative characterization of the water trimer torsional manifold by terahertz laser spectroscopy and theoretical analysis. II. (H2O)(3) Brown MG, Viant MR, McLaughlin RP, Keoshian CJ, Michael E, Cruzan JD, Saykally RJ, van der Avoird A
7801 - 7806	High symmetry effects on hydrogen bond rearrangement: The 4.1 THz vibrational band of (D2O)(4) Brown MG, Keutsch FN, Braly LB, Saykally RJ
7807 - 7817	Quantum-classical molecular dynamics simulation of femtosecond spectroscopy on I-2 in inert gases: Mechanisms for the decay of pump-probe signals Ermoshin VA, Kazansky AK, Engel V
7818 - 7827	Perturbed ground state method for electron transfer Prezhdo OV, Kindt JT, Tully JC
7828 - 7836	The electric-field-gradient-induced birefringence of helium, neon, argon, and SF6 Coriani S, Hattig C, Rizzo A
7837 - 7843	Photofragmentation studies of small selenium cluster cations Se-n(+) (n=3-8) Yang X, Hu YH, Yang SH, Loy MMT
7844 - 7856	Dynamics of linear and T-shaped Ar-I-2 dissociation upon B <- X optical excitation: A dispersed fluorescence study of the linear isomer Miller AES, Chuang CC, Fu HC, Higgins KJ, Klemperer W
7857 - 7864	Competition of different ionization pathways in K-2 studied by ultrafast pump-probe spectroscopy: A comparison between theory and experiment Nicole C, Bouchene MA, Meier C, Magnier S, Schreiber E, Girard B
7865 - 7870	High-resolution ion mobility measurements for silicon cluster anions and cations Hudgins RR, Imai M, Jarrold MF, Dugourd P
7871 - 7880	Pseudorotation pathway and equilibrium structure from the rotational spectrum of jet-cooled tetrahydrofuran Meyer R, Lopez JC, Alonso JL, Melandri S, Favero PG, Caminati W
7881 - 7887	Raman-spectroscopy of oligomeric SiO species isolated in solid methane Friesen M, Junker M, Zumbusch A, Schnockel H
7888 - 7903	High resolution absorption spectroscopy of the nu(1)=2-6 acetylenic overtone bands of propyne: Spectroscopy and dynamics Campargue A, Biennier L, Garnache A, Kachanov A, Romanini D, Herman M
7904 - 7915	The correlation, relativistic, and vibrational contributions to the dipole moments, polarizabilities, and first and second hyperpolarizabilities of ZnS, CdS, and HgS Raptis SG, Papadopoulos MG, Sadlej AJ
7916 - 7920	The microwave spectrum of a new phosphorus-bearing radical CH2P(B-2(2)) Saito S, Yamamoto S
7921 - 7930	Reaction dynamics of O(D-1)+HD. I. The insertion pathway Hsu YT, Liu K, Pederson LA, Schatz GC
7931 - 7944	Reaction dynamics of O(D-1)+HD. II. Effects of excited surfaces Hsu YT, Liu KP, Pederson LA, Schatz GC
7945 - 7953	Structures, thermochemistry, and electron affinities of the germanium fluorides, GeFn/GeFn-(n=1-5) Li QS, Li GL, Xu WG, Xie YM, Schaefer HF
7954 - 7960	Laser spectroscopy of the nu(1)+3 nu(3) absorption band in (C2H2)-C-12. I. Pressure broadening and absolute line intensity measurements Herregodts F, Hurtmans D, Vander Auwera J, Herman M
7961 - 7965	Laser spectroscopy of the nu(1)+3 nu(3) absorption band in (C2H2)-C-12. II. Self-collisional lineshift measurements Herregodts F, Hepp M, Hurtmans D, Vander Auwera J, Herman M
7966 - 7975	Structure and vibrations of dihydroxybenzene cations and ionization potentials of dihydroxybenzenes studied by mass analyzed threshold ionization and infrared photoinduced Rydberg ionization spectroscopy as well as ab initio theory Gerhards M, Unterberg C, Schumm S
7976 - 7984	Diatomic metal encapsulates in fullerene cages: A Raman and infrared analysis of C-84 and Sc-2@C-84 with D-2d symmetry Krause M, Hulman M, Kuzmany H, Dennis TJS, Inakuma M, Shinohara H
7985 - 7999	The effect of hydrophobic and hydrophilic channel walls on the structure and diffusion of water and ions Allen TW, Kuyucak S, Chung SH
8000 - 8009	Molecular model of hydrophobic solvation Silverstein KAT, Haymet ADJ, Dill KA
8010 - 8012	A unified kinetic approach to binary nucleation Kevrekidis PG, Lazaridis M, Drossinos Y, Georgopoulos PG
8013 - 8021	The influence of buoyant convection on the operation of the upward thermal diffusion cloud nucleation chamber Ferguson FT, Nuth JA
8022 - 8033	Molecular dynamics simulation of vibrational energy relaxation of highly excited molecules in fluids. III. Equilibrium simulations of vibrational energy relaxation of azulene in carbon dioxide Heidelbach C, Vikhrenko VS, Schwarzer D, Fedchenia II, Schroeder J
8034 - 8038	Microscopic formulation of solute and solvent reactive coordinates for solution reaction and examination of contact-ion-pair formation of t-BuCl in four waters Okuno Y
8039 - 8042	Photoabsorption of the peroxide linkage defect in silicate glasses Stefanov BB, Raghavachari K
8043 - 8047	Phase diagram of the four-dimensional Lennard-Jones fluid Hloucha M, Sandler SI
8048 - 8067	Determination of equilibrium properties of biomolecular systems using multidimensional adaptive umbrella sampling Bartels C, Schaefer M, Karplus M
8068 - 8076	Coordination and reaction mechanism of furan on Ru(001) Yan FQ, Qiao MH, Wei XM, Liu QP, Deng JF, Xu GQ
8077 - 8087	Reaction of H2S with MgO(100) and Cu/MgO(100) surfaces: Band-gap size and chemical reactivity Rodriguez JA, Jirsak T, Chaturvedi S
8088 - 8097	Role of adsorbed nitrogen in the catalytic reduction of NO on rhodium surfaces Zaera F, Gopinath CS
8098 - 8104	Electron spin-lattice relaxation of silver nanoparticles embedded in SiO2 and TiO2 matrices Mitrikas G, Trapalis CC, Kordas G
8105 - 8114	Mathematical modeling of complex oscillatory phenomena during CO oxidation over Pd zeolite catalysts Slinko MM, Kurkina ES, Liauw MA, Jaeger NI
8115 - 8123	Interaction of H atoms with Cu(111) surfaces: Adsorption, absorption, and abstraction Kammler T, Kuppers J
8124 - 8130	Adsorption of ammonia on the rhodium (111), (100), and stepped (100) surfaces: An ab initio and experimental study Frechard F, van Santen RA, Siokou A, Niemantsverdriet JW, Hafner J
8131 - 8135	Optical dephasing in defect-rich crystals Hizhnyakov V, Reineker P
8136 - 8143	Theoretical and spectroscopic studies of gap-states at ultrathin silicon oxide/silicon interfaces Kubota T, Asano A, Nishioka Y, Kobayashi H
8144 - 8150	Temporal scaling analysis: Viscoelastic properties of star polymers Phillies GDJ
8151 - 8164	Interplay between gelation and phase separation in tree polymers, and the calculation of macroscopic loop density in the postgel regime Gujrati PD, Bowman D
8165 - 8173	Simulations of the shape of a regularly branched polymer as a model of a polymacromonomer Shiokawa K, Itoh K, Nemoto N
8174 - 8181	Phase separation in confined polymer blends Cherrabi R, Saout-Elhak A, Benhamou M, Daoud M
8182 - 8195	A colloidal crystal modeled by bead-spring cubes Denneman AIM, Jongschaap RJJ, Mellema J
8196 - 8208	Scattering from deformed polymer networks Muller-Nedebock KK, Edwards SF, McLeish TCB
8209 - 8213	The glass transition of charged and hard sphere silica colloids Beck C, Hartl W, Hempelmann R
8214 - 8224	Time evolution of polymer distribution functions from moment equations and maximum-entropy methods Poland D
8225 - 8239	Simulation of a single polymer chain in solution by combining lattice Boltzmann and molecular dynamics Ahlrichs P, Dunweg B
8240 - 8250	Liquid crystal polymorphism in F-actin: Optical microscopic and rotatory dispersion studies Das P, Xu J, Roy J, Chakrabarti N
8251 - 8252	A Fourier transform infrared study of collision induced desorption of N-2 on Ni(100) surface Takaoka T, Terahara M, Sakai M, Kusunoki I
8253 - 8254	Two-field-NOESY for precise determination of proton-proton distances and correlation times Mao XA, Zhang T, Baur M, Kessler H