Journal of Chemical Physics

Journal of Chemical Physics, Vol.109, No.19 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (67 articles)

8139 - 8142	Determination of bond dissociation energies by threshold ion-pair production spectroscopy : An improved D-0(HCl) Martin JDD, Hepburn JW
8143 - 8153	Thermodynamics and the global optimization of Lennard-Jones clusters Doye JPK, Wales DJ, Miller MA
8154 - 8160	Approximating state-space manifolds which attract solutions of systems of delay-differential equations Roussel MR
8161 - 8167	Unambiguous exchange-correlation energy density Burke K, Cruz FG, Lam KC
8168 - 8181	Basis sets and active space in multiconfigurational self-consistent field calculations of nuclear magnetic resonance spin-spin coupling constants Guilleme J, San Fabian J
8182 - 8187	Dirac-Fock-Roothaan calculations using a relativistic reduced frozen-core approximation Watanabe Y, Matsuoka O
8188 - 8199	Density functionals from the extended G2 test set : Second-order gradient corrections Schmider HL, Becke AD
8200 - 8217	Quantum scattering on S(N)2 reactions : Influence of azimuthal rotations Schmatz S, Clary DC
8218 - 8224	An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules Stratmann RE, Scuseria GE, Frisch MJ
8225 - 8231	Electron intracule densities and Coulomb holes from energy-derivative two-electron reduced density matrices Cioslowski J, Liu GH
8232 - 8240	Elimination of Coulombic infinities through transformation of the Hamiltonian Nooijen M, Bartlett RJ
8241 - 8248	Shifted-contour auxiliary-field Monte Carlo for molecular electronic structure Rom N, Fattal E, Gupta AK, Carter EA, Neuhauser D
8249 - 8261	Molecular time scale generalized Langevin equation theory and polynomial maximum entropy imaging of spectral densities McDowell HK, Clogston AM
8262 - 8274	Dynamics in the spin-boson model by maximum entropy moment imaging Bailey D, Hurley M, McDowell HK
8275 - 8282	Size-consistent self-consistent configuration interaction from a complete active space : Excited states Ben Amor N, Maynau D, Sanchez-Marin J, Nebot-Gil I, Evangelisti S
8283 - 8288	An analytical model for collisional effects on spectral line shape from the Doppler to the collision regime Lance B, Robert D
8289 - 8294	Formation of argon dimers in ternary monomer collisions - A classical trajectory study Kalus R
8295 - 8303	Homogeneous and mixed UF6 clusters with Ar : Calculations of structures and vibrational spectra Beu TA, Onoe J, Takeuchi K
8304 - 8310	Effect of temperature on electron attachment to and negative ion states of CCl2F2 Wang YC, Christophorou LG, Verbrugge JK
8311 - 8318	Photodissociation spectroscopy of MgO2+ Chen J, Wong TH, Kleiber PD
8319 - 8329	Photoionization and photodissociation dynamics of H-2 after (3+1) resonance-enhanced multiphoton ionization via the B (1)Sigma(+)(u) state Scheper CR, Buma WJ, de Lange CA, van der Zande WJ
8330 - 8337	Quasiclassical dynamics of benzene overtone relaxation on an ab initio force field. I. Energy flow and survival probabilities in planar benzene for CH(v=2,3) Minehardt TJ, Wyatt RE
8338 - 8341	The origin of the magnetic-field-dependent quadrupolar splitting Salsbury FR, Harris RA
8342 - 8354	Analysis of the highly excited vibrational dynamics of HCP using a high-order Fermi resonance Hamiltonian Joyeux M, Yu S, Schinke G, Schinke R
8355 - 8364	Fourier transform infrared observation of the vibrational spectrum of the H2SiCCH radical in Ar at 10 K Han DS, Rittby CML, Graham WRM
8365 - 8373	Evaporation and isomerization dynamics leading to the free-jet formation of isotopically labeled (benzene)(13) : A spectroscopic observation Easter DC, Mellott J, Weiss T
8374 - 8387	Diabatic analysis of the electronic states of hydrogen chloride Liyanage R, Gordon RJ, Field RW
8388 - 8397	Rovibrational effects, temperature dependence, and isotope effects on the nuclear shielding tensors of water : A new O-17 absolute shielding scale Vaara J, Lounila J, Ruud K, Helgaker T
8398 - 8406	Potential functions for describing intermolecular interactions in cyanoacetylene clusters Cabaleiro-Lago EM, Rios MA
8407 - 8415	Static and dynamic polarizabilities and first hyperpolarizabilities for CH4, CF4, and CCl4 Bishop DM, Gu FL, Cybulski SM
8416 - 8425	Long-range, collision-induced dipoles of T-d-D-infinity h molecule pairs : Theory and numerical results for CH4 or CF4 interacting with H-2, N-2, CO2, or CS2 Li X, Champagne MH, Hunt KLC
8426 - 8429	Zinc oxide and its anion : A negative ion photoelectron spectroscopic study Fancher CA, de Clercq HL, Thomas OC, Robinson DW, Bowen KH
8430 - 8434	A comparison of ZnO and ZnO- Bauschlicher CW, Partridge H
8435 - 8441	The effect of a uniform electric field on homogeneous vapor-liquid nucleation in a dipolar fluid. I. Stockmayer fluid Oh KJ, Gao GT, Zeng XC
8442 - 8450	Fluorescence from molecules and aggregates in polycrystalline thin films of alpha-oligothiophenes Yang AP, Kuroda M, Shiraishi Y, Kobayashi T
8451 - 8462	Molecular dynamics of homogeneous nucleation in the vapor phase. I. Lennard-Jones fluid Yasuoka K, Matsumoto M
8463 - 8470	Molecular dynamics of homogeneous nucleation in the vapor phase. II. Water Yasuoka K, Matsumoto M
8471 - 8477	Temperature dependence of spin-spin and spin-lattice relaxation times of paramagnetic nitrogen defects in diamond Reynhardt EC, High GL, van Wyk JA
8478 - 8484	Hydrogen bonding in glassy liquid water from Raman spectroscopic studies Tulk CA, Klug DD, Branderhorst R, Sharpe P, Ripmeester JA
8485 - 8493	Determination of multiple steady states in a family of allosteric models for glycolysis Li HY
8494 - 8503	Hydrogen-bond-induced clustering in the fragile glass-forming liquid m-toluidine : Experiments and simulations Morineau D, Alba-Simionesco C
8504 - 8513	Ginzburg criterion for the crossover behavior of model fluids Schroer W, Weiss VC
8514 - 8520	Electron-phonon coupling in the one-dimensional crystals of negatively charged [18]annulene Yoshizawa K, Kato T, Yamabe T
8521 - 8526	Spectroscopic evidence for the coexistence of tetragonal and trigonal minima within the exited state adiabatic potential energy surfaces of hexachlorotellurate and -selenate complexes Cremers C, Degen J
8527 - 8529	Molecular dynamics simulation of diffusion-limited catalytic reactions Toxvaerd S
8530 - 8540	Kinetics of crystallization preceded by metastable-phase formation Kashchiev D, Sato K
8541 - 8556	Realistic master equation modeling of relaxation on complete potential energy surfaces : Partition function models and equilibrium results Ball KD, Berry RS
8557 - 8572	Realistic master equation modeling of relaxation on complete potential energy surfaces : Kinetic results Ball KD, Berry RS
8573 - 8582	Elementary structural transitions in the amorphous Lennard-Jones solid using multidimensional transition-state theory Kopsias NP, Theodorou DN
8583 - 8590	Solvent effect on the optical properties of [(NH3)(5)Ru-pyrazine](+m) (m=2,3) complexes by ab initio calculations Cacelli I, Ferretti A
8591 - 8600	Formation and desorption dynamics of photoproducts in the ablation of van der Waals films of chlorobenzene at 248 nm Georgiou S, Koubenakis A, Labrakis J, Lassithiotaki M
8601 - 8606	Molecular dynamics simulation on a layer-by-layer homoepitaxial growth process of SrTiO3(001) Kubo M, Oumi Y, Miura R, Stirling A, Miyamoto A, Kawasaki M, Yoshimoto M, Koinuma H
8607 - 8611	Early stages of dewetting of microscopically thin polymer films : A molecular dynamics study Liu H, Bhattacharya A, Chakrabarti A
8612 - 8616	Hyperfine sublevel correlation spectroscopy in lithium silicate glasses Astrakas L, Deligiannakis Y, Mitrikas G, Kordas G
8617 - 8625	Effect of inert sites on the kinetic oscillations in the catalytic CO oxidation on Pt(100) Chavez F, Vicente L, Perera A, Moreau M
8626 - 8634	Vibrational quenching of acetylene scattered from LiF(001) : Trapping desorption versus direct scattering Wight AC, Miller RE
8635 - 8640	Reactive scattering of O- in organic films at subionization collision energies Bass AD, Parenteau L, Huels MA, Sanche L
8641 - 8651	Infrared spectroscopy of overtones and combination bands Jakob P, Persson BNJ
8652 - 8658	Negative ion formation in near grazing surface scattering of hyperthermal neutral C-60 : Image charge effects Bekkerman A, Tsipinyuk B, Verkhoturov S, Kolodney E
8659 - 8666	Interactions, dynamics, and elasticity in charge-stabilized colloidal crystals Weiss JA, Larsen AE, Grier DG
8667 - 8676	Adhesion promotion at a homopolymer-solid interface using random heteropolymers Simmons ER, Chakraborty AK
8677 - 8700	Theory of microphase separation in multiple segment-type statistical multiblock copolymers with arbitrary block molecular weight distributions Slot JJM, Angerman HJ, ten Brinke G
8701 - 8707	Coil-globule transition of poly(methyl methacrylate) by intrinsic viscosity Baysal BM, Kayaman N
8708 - 8718	Monte Carlo simulations of electronic excitation transfer in polymer composites and comparison to theory Hussey DM, Matzinger S, Fayer MD
8719 - 8728	Structural properties of poly(propylene oxide) from diffraction experiments and reverse Monte Carlo simulation Carlsson P, Swenson J, Borjesson L, Torell LM, McGreevy RL, Howells WS
8729 - 8730	Kinetics of crystallization in conducting polymers observed from electron spin resonance Nascimento OR, Correa AA, Bulhoes LOS, Pereira EC, Pawlicka A, Walmsley L
8731 - 8731	Equation of state of a charged bilayer system : Measure of the entropy of the lamellar-lamellar transition in DDABr (vol 108, pg 7855, 1998) Dubois M, Zemb T, Fuller N, Rand RP, Parsegian VA