Journal of Chemical Physics

Journal of Chemical Physics, Vol.109, No.6 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (68 articles)

2049 - 2051	State-resolved two-photon laser induced fluorescence detection of BrO Delmdahl RF, Gericke KH
2052 - 2055	Silicide formation by high-temperature reaction of Rh with model SiO2 films Labich S, Kohl A, Taglauer E, Knozinger H
2056 - 2064	A strictly variational procedure for cluster embedding based on the extended subspace approach Gutdeutsch U, Birkenheuer U, Rosch N
2065 - 2070	Identifying collective dynamical observables bearing on local features of potential surfaces Lazarides AA, Rabitz H, Chang J, Brown NJ
2071 - 2079	Inflection spacing symmetry of diatomic potential curves Herrick DR, O'Connor S
2080 - 2091	Path integrals for Fokker-Planck dynamics with singular diffusion : Accurate factorization for the time evolution operator Drozdov AN, Talkner P
2092 - 2098	A new inhomogeneity parameter in density-functional theory Becke AD
2099 - 2110	A nonequilibrium statistical grand-canonical ensemble : Description in terms of flux operators Madureira JR, Vasconcellos AR, Luzzi R
2111 - 2122	Gustavson's procedure and the dynamics of highly excited vibrational states Joyeux M
2123 - 2134	A comparison of the efficiency of Fourier- and discrete time-path integral Monte Carlo Chakravarty C, Gordillo MC, Ceperley DM
2135 - 2143	Effective Hamiltonian for near-degenerate states in relativistic direct perturbation theory. II. H-2(+)-like systems Rutkowski A, Schwarz WHE, Kozlowski R, Beczek J, Franke R
2144 - 2154	RG+Cl(P-2) (RG = He, Ne, Ar) interactions : Ab initio potentials and collision properties Burcl R, Krems RV, Buchachenko AA, Szczesniak MM, Chalasinski G, Cybulski SM
2155 - 2161	Electron bombardment matrix isolation of Rg/Rg ＇/methanol mixtures (Rg = Ar, Kr, Xe) : Fourier-transform infrared characterization of the proton-bound dimers Kr2H+, Xe2H+, (ArHKr)(+) and (ArHXe)(+) in Ar matrices and (KrHXe)(+) and Xe2H+ in Kr matrices Fridgen TD, Parnis JM
2162 - 2168	Density functional theory study of the proton-bound rare-gas dimers Rg(2)H(+) and (RgHRg ＇)(+) (Rg = Ar, Kr, Xe) : Interpretation of experimental matrix isolation infrared data Fridgen TD, Parnis JM
2169 - 2175	Intermolecular interaction potential of the carbon dioxide dimer Tsuzuki S, Uchimaru T, Mikami M, Tanabe K
2176 - 2184	Molecular dynamics study of the Ag-6 cluster using an ab initio many-body model potential Garzon IL, Kaplan IG, Santamaria R, Novaro O
2185 - 2193	The 16 valence electronic states of nitric oxide dimer (NO)(2) East ALL
2194 - 2201	Resonant coherent hyper-Raman scattering (CHRS). II. A theory on the general relationship between CHRS and coherent Raman scattering (CRS) processes Cho MH
2202 - 2209	A theoretical characterization of the quartet states of the SO+ molecular ion Ornellas FR, Borin AC
2210 - 2219	Vuv photolysis of hydrazoic acid : Absorption and fluorescence excitation spectra Schonnenbeck G, Biehl H, Stuhl F, Meier U, Staemmler V
2220 - 2232	Electronic spectroscopy and ab initio quantum chemical study of the (A)over-tilde((1)A ＇＇)-(X)over-tilde((1)A ＇) transition of CFBr Knepp PT, Scalley CK, Bacskay GB, Kable SH
2233 - 2241	Benchmark calculations with correlated molecular wave functions. IX. The weakly bound complexes Ar-H-2 and Ar-HCl Woon DE, Peterson KA, Dunning TH
2242 - 2245	Rotational spectra of (NeH+)-Ne-20, (NeD+)-Ne-20, (NeH+)-Ne-22, and (NeD+)-Ne-22 Matsushima F, Ohtaki Y, Torige O, Takagi K
2246 - 2253	Dissociative photoionization of SO2 from 16 to 120 eV Masuoka T, Chung YM, Lee EM, Samson JAR
2254 - 2256	Relativistic corrections to the energies of the EF, GK, and H(H)over-bar (1)Sigma(g) states of the hydrogen molecule Wolniewicz L
2257 - 2263	Nonadiabatic effects in the photodissociation of vibrationally excited HNCO : The branching between singlet (a (1)Delta) and triplet (X (3)Sigma(-)) NH Berghout HL, Brown SS, Delgado R, Crim FF
2264 - 2274	Electric field gradient, generalized Sternheimer shieldings and electric field gradient polarizabilities by multiconfigurational SCF response Rizzo A, Ruud K, Helgaker T, Jaszunski M
2275 - 2278	Photoelectron spectra of Nb-n(-) clusters : Correlation between electronic structure and hydrogen chemisorption Kietzmann H, Morenzin J, Bechthold PS, Gantefor G, Eberhardt W
2279 - 2286	Two-dimensional treatment of the methyl and aldehydic torsions in gas phase propanal Vivier-Bunge A, Uc VH, Smeyers YG
2287 - 2293	Proton transfer in benzoic acid crystals : Another look using quantum operator theory Antoniou D, Schwartz SD
2294 - 2305	Spectroscopic study of Cr3+ ions in fluorochloro- and fluorobromozirconate glasses Bunuel MA, Alcala R, Cases R
2306 - 2309	Size-dependent electronic level structure of InAs nanocrystal quantum dots : Test of multiband effective mass theory Banin U, Lee CJ, Guzelian AA, Kadavanich AV, Alivisatos AP, Jaskolski W, Bryant GW, Efros AL, Rosen M
2310 - 2315	Adsorption of a hard-sphere fluid in a slitlike pore with molecularly rough walls Bryk P, Pizio O, Sokolowski S
2316 - 2324	A unified model for ion conduction in crystals of beta- and beta ＇＇-alumina structure Meyer M, Maass P, Bunde A
2325 - 2338	Electron transfer reaction dynamics in non-Debye solvents Bicout DJ, Szabo A
2339 - 2345	Closed-shell interaction in silver and gold chlorides Doll K, Pyykko P, Stoll H
2346 - 2354	A molecular-orbital derived polarization potential for liquid water Gao JL
2355 - 2360	Concentration-profile- and molecular-size-dependent instabilities associated with the free diffusion and self-assembling of amphiphiles along a solid-fluid-fluid meniscus Haidara H, Vonna L, Schultz J
2361 - 2370	A theory for the liquid-crystalline phase behavior of the Gay-Berne model Velasco E, Mederos L
2371 - 2379	Elastic constants from a microscopic model of bilayer membrane Chacon E, Somoza AM, Tarazona P
2380 - 2393	Multidimensional solid-state nuclear magnetic resonance for determining the dihedral angle from the correlation of C-13-H-1 and C-13-C-13 dipolar interactions under magic-angle spinning conditions Fujiwara T, Shimomura T, Ohigashi Y, Akutsu H
2394 - 2402	Hydration of ions at various temperatures : The role of electrostriction Danielewicz-Ferchmin I, Ferchmin AR
2403 - 2412	Solvation and conformational dynamics of dicarboxylic suberic acid Nilsson JA, Laaksonen A, Eriksson LA
2413 - 2422	The metastable T-P phase diagram and anomalous thermodynamic properties of supercooled water Ponyatovsky EG, Sinitsyn VV, Pozdnyakova TA
2423 - 2428	The screening length of charge-asymmetric electrolytes : A hypernetted chain calculation McBride A, Kohonen M, Attard P
2429 - 2431	Effects of initial conditions on the development of spinodal decomposition Chikina I
2432 - 2436	Differential scanning calorimetry, x-ray diffraction and F-19 nuclear magnetic resonance investigations of the crystallization of InF3-based glasses Franco RWA, Tambelli CC, Magon CJ, Donoso JP, Messaddeq Y, Ribeiro SJL, Poulain M
2437 - 2441	Effect of convective transport on droplet spinodal decomposition in fluids Kumaran V
2442 - 2449	Energetics of silicon hydrides on the Si(100)-(2x1) surface Brown AR, Doren DJ
2450 - 2459	The influence of molecular rotation on the direct subsurface absorption of H-2 on Pd(111) Olsen RA, Kroes GJ, Baerends EJ
2460 - 2466	Picosecond infrared pump-probe spectrum of D2O adsorbed at acid OD group of zeolite Fujino T, Kashitani M, Onda K, Wada A, Domen K, Hirose C, Ishida M, Goto F, Kano SS
2467 - 2473	Adsorption dynamics of monoenergetic iodine monobromide (IBr) on the Si(111)-7x7 surface Liu Y, Komrowski AJ, Taylor PR, Kummel AC
2474 - 2479	Substrate mediated photochemistry on a molecular surface : OCS on Ag clusters Brown LA, Rayner DM
2480 - 2489	Ion-ion correlations in electrolyte solutions adsorbed in disordered electroneutral charged matrices from replica Ornstein-Zernike equations Hribar B, Pizio O, Trokhymchuk A, Vlachy V
2490 - 2502	Collision induced desorption and dissociation of O-2 chemisorbed on Ag(001) Vattuone L, Gambardella P, Burghaus U, Cemic F, Cupolillo A, Valbusa U, Rocca M
2503 - 2508	Free convection and surface kinetics in crystal growth from solution Baird JK, Guo LH
2509 - 2512	Radial compression and controlled cutting of carbon nanotubes Lordi V, Yao N
2513 - 2518	On the relationship between C-C and C-D order parameters and its use for studying the conformation of lipid acyl chains in biomembranes Douliez JP, Ferrarini A, Dufourc EJ
2519 - 2527	Molecular self assembly of rodlike particles : An application to collagen Evans GT
2528 - 2535	Non-Arrhenius modes in the relaxation of model proteins Skorobogatiy M, Guo H, Zuckermann M
2536 - 2542	Langevin dynamics simulations of early-stage polymer nucleation and crystallization Liu C, Muthukumar M
2543 - 2548	Vibrational spectroscopic study of 5,5 ＇＇-bis(dicyanomethylene)-5,5 ＇＇-dihydro-Delta(2,2 ＇ : 5 ＇,2 ＇＇)-terthiophene bearing a heteroquinonoid structure as a model of doped polythiophene Hernandez V, Hotta S, Navarrete JTL
2549 - 2555	Linear and nonlinear optical response of polyenes : A density matrix renormalization group study Shuai Z, Bredas JL, Saxena A, Bishop AR
2556 - 2561	Small angle neutron scattering experiments from colloidal dispersions at rest and under sheared conditions Dux C, Musa S, Reus V, Versmold H, Schwahn D, Lindner P
2562 - 2564	A new scheme to calculate dipole-allowed singlets in conjugated polymers Zhang GP, George TF, Pandey LN
2565 - 2571	Effective Hamiltonians of polymethineimine, polyazine and polyazoethene : A density matrix variation approach Chen GH, Su ZM, Shen ZW, Yan YJ
2572 - 2578	Transient relaxation of a charged polymer chain subject to an external field in a random tube Burlatsky SF, Deutch JM
2579 - 2587	The correlation functions of hard-sphere chains : Monodisperse chains as a complete association limit Chang J, Kim H