Journal of Chemical Physics

Journal of Chemical Physics, Vol.108, No.19 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (41 articles)

7933 - 7936	Femtosecond beta-cleavage dynamics : Observation of the diradical intermediate in the nonconcerted reactions of cyclic ethers Scala AA, Diau EWG, Kim ZH, Zewail AH
7937 - 7945	Nonlinear and Hamiltonian extended irreversible thermodynamics Grmela M, Jou D, Casas-Vazquez J
7946 - 7958	Analytic first-order properties from explicitly correlated many-body perturbation theory and Gaussian geminal basis Bukowski R, Jeziorski B, Szalewicz K
7959 - 7966	Deriving the isothermal-isobaric ensemble : The requirement of a "shell" molecule and applicability to small systems Corti DS, Soto-Campos G
7967 - 7972	Calculation of electronic affinity and vertical detachment energy of the water dimer complex using the density functional theory Bouteiller Y, Desfrancois C, Scherman JP, Latajka Z, Silvi B
7973 - 7979	Generalized integral-screening for efficient calculations of nonlinear optical properties of large molecules Ruud K, Jonsson D, Norman P, Agren H, Saue T, Jensen HJA, Dahle P, Helgaker T
7980 - 7987	Ab initio spin-free-state-shifted spin-orbit configuration interaction calculations on singly ionized iridium Rakowitz F, Casarrubios M, Seijo L, Marian CM
7988 - 7993	The hyperpolarizability of trans-butadiene rerevisited Rozyczko PB, Bartlett RJ
7994 - 8003	A quasiclassical trajectory study of H+H2O -> OH+H-2 : Angular distributions and OH angular momentum alignment Bradley KS, Schatz GC
8004 - 8011	Pump-probe diffraction imaging of vibrational wave functions Geiser JD, Weber PM
8012 - 8019	Quantum chemical studies of carbon-13 equilibrium fractionation in ion-molecule reactions Lohr LL
8020 - 8028	A study of the dissociation of CH3CH2SH+ by collisional activation : Evidence of nonstatistical behavior Chen YJ, Stimson S, Fenn PT, Ng CY, Li WK, Ma NL
8029 - 8030	The barrier height for decomposition of HN2 Gu JD, Xie YM, Schaefer HF
8031 - 8038	Nascent rovibrational distributions of CO(d (3)Delta(i),e (3)Sigma(-),a ＇ (3)Sigma(+)) produced in the dissociative recombination of CO2+ With electrons Tsuji M, Nakamura M, Nishimura Y, Obase H
8039 - 8058	Geometric and electronic structures of fluorine bound silicon clusters Kishi R, Negishi Y, Kawamata H, Iwata S, Nakajima A, Kaya K
8059 - 8061	Quantum Monte Carlo with model potentials for molecules Yoshida T, Miyako G
8062 - 8074	Guided ion beam studies of the reactions of Cr-n(+) (n=2-18) with O-2 : Chromium cluster oxide and dioxide bond energies Griffin JB, Armentrout PB
8075 - 8083	Guided ion beam studies of the reactions of Cr-n(+) (n=1-18) with CO2 : Chromium cluster oxide bond energies Griffin JB, Armentrout PB
8084 - 8091	Collision-induced depolarized scattering by CF4 in a Raman vibrational band Bancewicz T, Elliasmine A, Godet JL, Le Duff Y
8092 - 8100	Raman and IR spectroscopy of (GeO)(n), with n=1,2,3,4, isolated in solid argon Zumbusch A, Schnockel H
8101 - 8109	Collision induced absorption in mercury-rare-gas collisions Kurosawa T, Ohmori K, Chiba H, Okunishi M, Ueda K, Sato Y, Devdariani AZ, Nikitin EE
8110 - 8113	c <- X laser excitation spectrum of the Hg-Ar vdW complex Amano K, Ohmori K, Kurosawa T, Chiba H, Okunishi M, Ueda K, Sato Y, Devdariani AZ, Nikitin EE
8114 - 8122	A theoretical study of the isotope effects on the fluorescence excitation spectrum of 5-aminotropolone Paz JJ, Moreno M, Lluch JM
8123 - 8129	Theoretical treatment of predissociation of the (4p sigma) (1,3)Pi(u), rovibrational levels in the spectrum of the oxygen molecule Li Y, Hirsch G, Buenker RJ
8130 - 8138	Localized low-frequency dynamics in SiO2 glass Uchino T, Yoko T
8139 - 8145	Comparison of three Brownian-dynamics algorithms for calculating rate constants of diffusion-influenced reactions Zhou HX
8146 - 8154	Theory of the diffusion-influenced substrate binding rate to a buried and gated active site Zhou HX
8155 - 8160	Some constraints involving the statistical properties of trajectories run in the Monte Carlo computation of a rate constant and their use in improving and testing the quality of sampling Makarov DE, Metiu H
8161 - 8171	Solvent dependence of the first hyperpolarizability of p-nitroanilines : Differences between nonspecific dipole-dipole interactions and solute-solvent H-bonds Huyskens FL, Huyskens PL, Persoons AP
8172 - 8181	A theoretical study of the isotropic cut sphere fluids Chamoux A, Perera A
8182 - 8189	Ionization energy and electron affinity of a metal cluster in the stabilized jellium model : Size effect and charging limit Seidl M, Perdew JP, Brajczewska M, Fiolhais C
8190 - 8194	Generation of charge carriers and formation of antisymmetric double electric layers in glycerine Koval'chuk AV
8195 - 8198	Internal surfaces of porous media studied by nuclear magnetic resonance cryoporometry Allen SG, Stephenson PCL, Strange JH
8199 - 8213	Phenyl ring dynamics and chain reorientation in liquid crystal polymers : A deuteron spin relaxation study Heaton NJ, Kothe G
8214 - 8225	Monte Carlo simulations of symmetric polymer blends. I. Characterization of the interface Olaj OF, Petrik T, Zifferer G
8226 - 8234	Monte Carlo simulations of symmetric polymer blends. II. Chain properties in interface regions Olaj OF, Petrik T, Zifferer G
8235 - 8251	Step growth of an AB(2) monomer, with cycle formation Cameron C, Fawcett AH, Hetherington CR, Mee RAW, McBride FV
8252 - 8263	Microscopic dynamics in water-swollen poly(vinyl alcohol) Muller-Plathe F
8264 - 8276	An energy function for dynamics simulations of polypeptides in torsion angle space Sartori F, Melchers B, Bottcher H, Knapp EW
8277 - 8278	Mode coupling theory for calculating the memory functions of flexible polymers : Local dynamics of oligoglycines Kostov KS, Freed KF
8279 - 8280	Time correlation functions for mixed quantum-semiclassical systems (vol 107, pg 7314, 1997) McWhirter JL