Journal of Chemical Physics

Journal of Chemical Physics, Vol.111, No.5 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (65 articles)

1793 - 1796	Site specificity in molecular hydrogen elimination from photodissociation of propane at 157 nm Wu SM, Lin JJ, Lee YT, Yang X
1797 - 1800	Forces between surfaces immersed in polyelectrolyte solutions Yethiraj A
1801 - 1808	Classical mechanics and the spreading of localized wave packets in condensed phase molecular systems Herman MF, Coker DF
1809 - 1814	Recursion representation of gradient expansion for free fermion ground state in one dimension Samaj L, Percus JK
1815 - 1822	A comparison of methods for the calculation of NMR chemical shifts Gregor T, Mauri F, Car R
1823 - 1829	Ab initio calculation of anharmonic vibrational states of polyatomic systems: Electronic structure combined with vibrational self-consistent field Chaban GM, Jung JO, Gerber RB
1830 - 1842	Classical flux integrals in transition state theory: Generalized reaction coordinates Smith SC
1843 - 1856	Towards standard methods for benchmark quality ab initio thermochemistry - W1 and W2 theory Martin JML, de Oliveira G
1857 - 1869	Unitary group based open-shell coupled cluster theory: Application to van der Waals interactions of high-spin systems Jankowski P, Jeziorski B
1870 - 1874	Calculations of Argon broadening and shift for HCO+ rotational lines at 77 K Buffa G, Tarrini O, Cazzoli G, Dore L
1875 - 1883	Vibrational and rotational collisional relaxation in CO2-Ar and CO2-He mixtures studied by stimulated Raman-infrared double resonance Deroussiaux A, Lavorel B
1884 - 1889	Evidence of a perpendicular component in the photodissociation of BrCN at 213 nm Franks KJ, Li HZ, Kong W
1890 - 1904	Evolution of the electronic structure and properties of neutral and charged aluminum clusters: A comprehensive analysis Rao BK, Jena P
1905 - 1916	Rotationally resolved pulsed field ionization photoelectron bands of O-2(+)(X (2)Pi(1/2,3/2g), v(+)=0-38) in the energy range of 12.05-18.15 eV Song Y, Evans M, Ng CY, Hsu CW, Jarvis GK
1917 - 1925	Polarizabilities and first hyperpolarizabilities of HF, Ne, and BH from full configuration interaction and coupled cluster calculations Larsen H, Olsen J, Hattig C, Jorgensen P, Christiansen O, Gauss J
1926 - 1936	Tunneling through the potential barrier of the B-1 Pi(u) state of Li-7-Li-7 Bouloufa N, Cacciani P, Vetter R, Yiannopoulou A
1937 - 1946	Rotational-resolved pulsed field ionization photoelectron study of NO+(a(3)Sigma(+),v(+)=0-16) in the energy range of 15.6-18.2 eV Jarvis GK, Song Y, Ng CY
1947 - 1954	Mass analyzed threshold ionization of phenol center dot CO: Intermolecular binding energies of a hydrogen-bonded complex Haines SR, Dessent CEH, Muller-Dethlefs K
1955 - 1963	A comparison of hydrogen-bonded and van der Waals isomers of phenol center dot center dot nitrogen and phenol center dot center dot carbon monoxide: An ab initio study Chapman DM, Muller-Dethlefs K, Peel JB
1964 - 1971	Theoretical determination of the absolute electron impact ionization cross-section function for silver clusters Ag-n (n=2-7) Deutsch H, Pittner J, Bonacic-Koutecky V, Becker K, Matt S, Mark TD
1972 - 1978	Quantum mechanical study of the vibrational relaxation of O-2(+) colliding with Kr Craimer M, Pogrebnya SK, Clary DC
1979 - 1987	The application of complex absorbing potentials to an invariant embedding scattering method. II. Applications Huarte-Larranaga F, Gimenez X, Lucas JM, Aguilar A
1988 - 1992	Vibrational spectrum of B2C in argon at 10 K Larson CW, Presilla-Marquez JD
1993 - 2000	Molecular polarization in water chains Hermansson K, Alfredsson M
2001 - 2007	Classical nucleation theory for the nucleation of the solid phase of spherical particles with a short-ranged attraction Sear RP
2008 - 2018	On the role of dielectric friction in vibrational energy relaxation Ladanyi BM, Stratt RM
2019 - 2027	Liquid-drop formalism and free-energy surfaces in binary homogeneous nucleation theory Laaksonen A, McGraw R, Vehkamaki H
2028 - 2037	Structure of molten MCl3 systems from a polarizable ion simulation model Hutchinson F, Rowley AJ, Walters MK, Wilson M, Madden PA, Wasse JC, Salmon PS
2038 - 2049	Dipole and quadrupole polarization in ionic systems: Ab initio studies Jemmer P, Wilson M, Madden PA, Fowler PW
2050 - 2059	A lattice model for fluids with directional interactions Aranovich G, Donohue P, Donohue M
2060 - 2070	Dynamics on statistical samples of potential energy surfaces Ball KD, Berry RS
2071 - 2074	Ab initio calculation of elastic constants of SiO2 stishovite and alpha-quartz Holm B, Ahuja R
2075 - 2085	Quantum consideration of electron transfer solvent control Frantsuzov PA
2086 - 2094	The dynamics of proton transfer in a water chain Sadeghi RR, Cheng HP
2095 - 2102	From molecular clusters to bulk matter. II. Crossover from icosahedral to crystalline structures in CO2 clusters Maillet JB, Boutin A, Fuchs AH
2103 - 2108	Liquid vapor equilibria for an ab initio model for water Mackie AD, Hernandez-Cobos J, Vega LF
2109 - 2114	Etching process of SiO2 by HF molecules Hoshino T, Nishioka Y
2115 - 2122	Lateral interactions in coadsorbate layers: Vibrational frequency shifts Wang RLC, Kreuzer HJ, Jakob P, Menzel D
2123 - 2132	Electron-lattice dynamics on Jahn-Teller surfaces in Ag : Xe crystals Bammel K, Dietrich P, Schwentner N
2133 - 2142	Empirical Jahn-Teller potential surfaces for silver doped xenon matrices Dietrich P, Schwentner N
2143 - 2150	Modeling of zeolite L crystallization using continuum time Monte Carlo simulations Nikolakis V, Vlachos DG, Tsapatsis M
2151 - 2156	Hard core Yukawa fluid with temperature and density dependent interaction: Phase diagram of the AOT/water/decane microemulsion Bouaskarne M, Amokrane S, Regnaut C
2157 - 2163	Electronic structure of tris(8-hydroxyquinoline) aluminum thin films in the pristine and reduced states Johansson N, Osada T, Stafstrom S, Salaneck WR, Parente V, dos Santos DA, Crispin X, Bredas JL
2164 - 2168	Ab initio study of dopant insertion into carbon nanotubes Farajian AA, Ohno K, Esfarjani K, Maruyama Y, Kawazoe Y
2169 - 2175	Oxygen adsorption on Ag(111): X-ray photoelectron spectroscopy (XPS), angular dependent x-ray photoelectron spectroscopy (ADXPS) and temperature-programmed desorption (TPD) studies Bukhtiyarov VI, Kaichev VV, Prosvirin IP
2176 - 2180	Melting thermodynamics of organic nanocrystals Jiang Q, Shi HX, Zhao M
2181 - 2189	The structure of the liquid-vapor interface of a gallium-tin binary alloy Zhao MS, Rice SA
2190 - 2199	A simulation study of the kinetics of passage of CO2 and N-2 through the liquid/vapor interface of water Somasundaram T, Panhuis MIH, Lynden-Bell RM, Patterson CH
2200 - 2209	Photoconductivity and singlet oxygen generation in illuminated polymer in the air atmosphere Burshtein AI, Igoshin OA
2210 - 2221	A consistent correlation approach to single file diffusion with reaction Okino MS, Snurr RQ, Kung HH, Ochs JE, Mavrovouniotis ML
2222 - 2234	Soft-landed ion diffusion studies on vapor-deposited hydrocarbon films Tsekouras AA, Iedema MJ, Cowin JP
2235 - 2241	Physical aging by periodic creep and interrupted creep experiments Bernatz KM, Giri L, Simon SL, Plazek DJ
2242 - 2254	Hydrogen bond and cooperative effect in the reactions of HOCl with HCl on water clusters Xu SC
2255 - 2258	Adsorption of polydisperse polymer chains Sear RP
2259 - 2269	Phase separation of polymer blend films near patterned surfaces Kielhorn L, Muthukumar M
2270 - 2282	Thermal and mass diffusion in a semidilute good solvent-polymer solution Zhang KJ, Briggs ME, Gammon RW, Sengers JV, Douglas JF
2283 - 2294	Density functional investigation on the ferromagnetic coupling of spins in phenylenevinylene-bridged nitroxide radicals: Monomer and polymer cases Mitani M, Yamaki D, Yoshioka Y, Yamaguchi K
2295 - 2300	Flow-induced swelling of poly(vinyl alcohol) gel Takigawa T, Uchida K, Takahashi K, Masuda T
2301 - 2310	From polypeptide sequences to structures using Monte Carlo simulations and an optimized potential Derreumaux P
2311 - 2321	Simplified model for the analysis of interaction types in two-stranded coiled-coils Gil MM, Rubio AM, Rey A
2322 - 2328	The isotropic-nematic transition and the phase separation of the tobacco mosaic virus particles with polysaccharide Urakami N, Imai M, Sano Y, Takasu M
2329 - 2339	Phase behavior of gradient copolymers Aksimentiev A, Holyst R
2340 - 2344	Association of diphilic chains near the solvent critical region Velichko YS, Vasilevskaya VV, Khalatur PG, Khokhlov AR
2345 - 2346	"Resonance Raman intensity analysis of a dicyanovinyl-azaadamantane: Mode-specific reorganization energies for charge-transfer and locally-excited states (vol 109, pg 10958, 1998) Lilichenko M, Kelley AM
2347 - 2347	"Ab initio relativistic effective potentials with spin-orbit operators. VII. Am through element 118" (vol 106, pg 5133, 1997) Nash CS, Bursten BE, Ermler WC