Journal of Chemical Physics

Journal of Chemical Physics, Vol.120, No.5 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (53 articles)

2075 - 2077	Binary liquid mixtures in porous solids Alnaimi SM, Mitchell J, Strange JH, Webber JBW
2078 - 2081	Strongly cluster size dependent reaction behavior of CO with O-2 on free silver cluster anions Socaciu LD, Hagen J, Le Roux J, Popolan D, Bernhardt TM, Woste L, Vajda S
2082 - 2094	A doubly nudged elastic band method for finding transition states Trygubenko SA, Wales DJ
2095 - 2104	The reduced density matrix method for electronic structure calculations and the role of three-index representability conditions Zhao ZJ, Braams BJ, Fukuda M, Overton ML, Percus JK
2105 - 2109	Current-dependent extension of the Perdew-Burke-Ernzerhof exchange-correlation functional Maximoff SN, Ernzerhof M, Scuseria GE
2110 - 2121	Stereographic projections path integral for inertia ellipsoids: Applications to Ar-n-HF clusters Russo MF, Curotto E
2122 - 2126	Constrained fluid lambda-integration: Constructing a reversible thermodynamic path between the solid and liquid state Grochola G
2127 - 2139	Relativistic spin-orbit effects on hyperfine coupling tensors by density-functional theory Arbuznikov AV, Vaara J, Kaupp M
2140 - 2148	A second quantization formulation of multimode dynamics Christiansen O
2149 - 2159	Vibrational coupled cluster theory Christiansen O
2160 - 2168	Path integral hybrid Monte Carlo algorithm for correlated Bose fluids Miura S, Tanaka J
2169 - 2181	On-the-fly localization of electronic orbitals in Car-Parrinello molecular dynamics Iftimie R, Thomas JW, Tuckerman ME
2182 - 2192	The open-shell interaction of He with the B-3 Pi(u)(0(+)) state of Br-2: An ab initio study and its comparison with a diatomics-in-molecule perturbation model de Lara-Castells MP, Buchachenko AA, Delgado-Barrio G, Villarreal P
2193 - 2198	Photodissociation dynamics of the methyl radical at 212.5 nm: Effect of parent internal excitation Wu GR, Jiang B, Ran Q, Zhang JH, Harich SA, Yang XM
2199 - 2207	Electron localization-delocalization transitions in dissociation of the C-4(-) anion: A large-D analysis Shi QC, Kais S, Herschbach DR
2208 - 2214	Hydrates of the most stable gas-phase mono- and di-protonated glycine derivatives: Origin of no reservation energy bond in glycine-2H(2+) Ai HQ, Bu YX
2215 - 2224	A combined crossed beam and theoretical investigation of O(P-3)+C3H3 -> C3H2+OH Lee H, Joo SK, Kwon LK, Choi JH
2225 - 2229	Kinetics of C-2(a(3)Pi(u)) radical reactions with alkanes by LIF Huang CS, Zhu ZQ, Xin Y, Pei LS, Chen CX, Chen Y
2230 - 2237	Imaging the quantum-state specific differential cross sections of HCl formed from reactions of chlorine atoms with methanol and dimethyl ether Murray C, Orr-Ewing AJ, Toomes RL, Kitsopoulos TN
2238 - 2246	Measurements and simulations of high energy O(P-3)+Ar(S-1) angular scattering: Single and multi-collision regimes Braunstein M, Brunsvold AL, Garton DJ, Minton TK
2247 - 2254	Quantum reactive scattering with a transmission-free absorbing potential Gonzalez-Lezana T, Rackham EJ, Manolopoulos DE
2255 - 2269	Anomalous splittings of torsional sublevels induced by the aldehyde inversion motion in the S-1 state of acetaldehyde Chou YC, Chen IC, Hougen JT
2270 - 2284	Full-dimensional quantum calculations of vibrational spectra of six-atom molecules. I. Theory and numerical results Yu HG
2285 - 2295	State-to-state rotational rate constants for CO+He: Infrared double resonance measurements and simulation of the data using the SAPT theoretical potential energy surface Smith TC, Hostutler DA, Hager GD, Heaven MC, McBane GC
2296 - 2307	Quantum-mechanical theory of atom-molecule and molecular collisions in a magnetic field: Spin depolarization Krems RV, Dalgarno A
2308 - 2318	Ab initio rate constants from hyperspherical quantum scattering: Application to H+CH4 -> H-2+CH3 Kerkeni B, Clary DC
2319 - 2324	Ab initio study including spin-orbit effects on the B-X transition of AgI Ramirez-Solis A
2325 - 2336	Exciton exciton annihilation dynamics in chromophore complexes. II. Intensity dependent transient absorption of the LH2 antenna system Bruggemann B, May V
2337 - 2342	Surface tension of associating fluids by Monte Carlo simulations Tapia-Medina C, Orea P, Mier-y-Teran L, Alejandre J
2343 - 2350	A self-consistent reaction field model of solvation using distributed multipoles. I. Energy and energy derivatives Rinaldi D, Bouchy A, Rivail JL, Dillet V
2351 - 2358	Vibrational relaxation and coupling of two OH-stretch oscillators with an intramolecular hydrogen bond Lock AJ, Gilijamse JJ, Woutersen S, Bakker HJ
2359 - 2367	Exciton migration dynamics in a dendritic molecule: Quantum master equation approach using ab initio molecular orbital configuration interaction method Nakano M, Takahata M, Yamada S, Yamaguchi K, Kishi R, Nitta T
2368 - 2374	Molecular dynamics of oligofluorenes: A dielectric spectroscopy investigation Papadopoulos P, Floudas G, Chi C, Wegner G
2375 - 2381	Structures of BaF2-CaF2 heterolayers and their influences on ionic conductivity Jin-Phillipp NY, Sata N, Maier J, Scheu C, Hahn K, Kelsch M, Ruhle M
2382 - 2391	On the variation of magnetic susceptibility of a molecular crystal with temperature: The 2,4,6-triphenylverdazyl system Datta SN, Navada GK
2392 - 2404	Application of the modified Shepard interpolation method to the determination of the potential energy surface for a molecule-surface reaction: H-2+Pt(111) Crespos C, Collins MA, Pijper E, Kroes GJ
2405 - 2412	Improved interatomic potentials for silicon-fluorine and silicon-chlorine Humbird D, Graves DB
2413 - 2416	Voronoi diagrams generated by regressing edges of precipitation fronts Costello BPJD, Hantz P, Ratcliffe NM
2417 - 2433	Experimental and simulation study of neon collision dynamics with a 1-decanethiol monolayer Isa N, Gibson KD, Yan T, Hase W, Sibener SJ
2434 - 2438	Enhancements in dissociative electron attachment to CF4, chlorofluorocarbons and hydrochlorofluorocarbons adsorbed on H2O ice Lu QB, Sanche L
2439 - 2444	Spectroscopy of the conformational disorder in molecular films: Tetracosane and squalane on Pt(111) Fuhrmann D, Graham AP
2445 - 2455	State-resolved dynamics of oxygen atom recombination on polycrystalline Ag White MG, Beuhler RJ
2456 - 2463	Laser control of product electronic state: Desorption from alkali halides Beck KM, Joly AG, Dupuis NF, Perozzo P, Hess WP, Sushko PV, Shluger AL
2464 - 2469	Molecular dynamics study of the n-hexane-water interface: Towards a better understanding of the liquid-liquid interfacial broadening Nicolas JP, de Souza NR
2470 - 2474	Phase diagram of mixtures of hard colloidal spheres and discs: A free-volume scaled-particle approach Oversteegen SM, Lekkerkerker HNW
2475 - 2481	Excluded volume entropic effects on protein unfolding times and intermediary stability Chapagain PP, Gerstman BS
2482 - 2489	Dynamics of chain closure: Approximate treatment of nonlocal interactions Debnath P, Cherayil BJ
2490 - 2495	Excitonic coupling in polythiophenes: Comparison of different calculation methods Beenken WJD, Pullerits T
2496 - 2501	Lattice Monte Carlo simulations of three-dimensional charged polymer chains Klos J, Pakula T
2502 - 2506	Lattice Monte Carlo simulations of three-dimensional charged polymer chains. II. Added salt Klos J, Pakula T
2507 - 2512	Monte Carlo investigations of dense copolymer systems. III. Properties of triblock copolymers in good and theta solvent Zifferer G, Neubauer B, Olaj OF
2513 - 2529	Shear-induced migration in flowing polymer solutions: Simulation of long-chain deoxyribose nucleic acid in microchannels Jendrejack RM, Schwartz DC, de Pablo JJ, Graham MD
2530 - 2531	Photobleaching time distribution of a single tetramethylrhodamine molecule in agarose gel Ko DS