Journal of Chemical Physics

Journal of Chemical Physics, Vol.111, No.6 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (56 articles)

2351 - 2356	Range definitions for Gaussian-type charge distributions in fast multipole methods Kudin KN, Scuseria GE
2357 - 2370	Path integral centroid variables and the formulation of their exact real time dynamics Jang S, Voth GA
2371 - 2384	A derivation of centroid molecular dynamics and other approximate time evolution methods for path integral centroid variables Jang S, Voth GA
2385 - 2391	The calculation of molecular parameters for a molecule with an internal rotor Duan YB, Wang L, Wu XDT, Mukhopadhyay I, Takagi K
2392 - 2400	Bond configurations in the Peierls-Hubbard model of small ring-shaped molecules Liviotti E, Ubertini F, Erdos P
2401 - 2406	Vibrational-rotational energy transfer in H-2-H-2 collisions. I. Semiclassical decoupling approximation Zenevich VA, Billing GD
2407 - 2413	Ab initio calculation of the interaction potential for the krypton dimer: The use of bond function basis sets Tao FM
2414 - 2422	Fluorescence quenching by reversible excimer formation: Kinetic study on the basis of generalized, non-Markovian rate equations Naumann W
2423 - 2435	Quantum fluid dynamics in the Lagrangian representation and applications to photodissociation problems Mayor FS, Askar A, Rabitz HA
2436 - 2443	Vibrational spectroscopy of methanol and acetonitrile clusters in cold helium droplets Behrens M, Frochtenicht R, Hartmann M, Siebers JG, Buck U, Hagemeister FC
2444 - 2450	The near infrared, visible, and near ultraviolet overtone spectrum of water Carleer M, Jenouvrier A, Vandaele AC, Bernath PF, Merienne MF, Colin R, Zobov NF, Polyansky OL, Tennyson J, Savin VA
2451 - 2463	Quantum scattering study of electronic Coriolis and nonadiabatic coupling effects in O(D-1)+H-2 -> OH+H Drukker K, Schatz GC
2464 - 2469	The electronic structure of MoC and WC by anion photoelectron spectroscopy Li X, Liu SS, Chen WW, Wang LS
2470 - 2477	ArHF vibrational predissociation dynamics using the diatomics-in-molecule potential energy surface Buchachenko AA, Stepanov NF, Grigorenko BL, Nemukhin AV
2478 - 2483	The one-atom cage effect in I-2(B)-Ar: Evidence that caging is inefficient for the T-shaped isomer Burroughs A, Van Marter T, Heaven MC
2484 - 2489	Spectroscopic characterization of the weakly bound Ca(4s4d sigma D-3(3))center dot Ar[(3)Sigma(+)] state: Evidence for a substantial maximum in the potential curve at long range Leung AWK, Kaup JG, Bellert D, McCaffrey JG, Breckenridge WH
2490 - 2498	Differential cross sections for H+D-2 -> HD (v '=2, J '=0,3,5)+D at 1.55 eV Fernandez-Alonso F, Bean BD, Zare RN
2499 - 2506	Time-dependent density functional calculations on the electronic absorption spectrum of free base porphin van Gisbergen SJA, Rosa A, Ricciardi G, Baerends EJ
2507 - 2512	Reaction of state-selected ammonia ions with methane Everest MA, Poutsma JC, Flad JE, Zare RN
2513 - 2518	Observation of linear isomers of the ionized rare gas tetramers Ar-4(+) and Xe-4(+) Von Issendorff B, Hofmann A, Haberland H
2519 - 2531	Rotational state-to-state rate constants and pressure broadening coefficients for He-C2H2 collisions: Theory and experiment Heijmen TGA, Moszynski R, Wormer PES, van der Avoird A, Rudert AD, Halpern JB, Martin J, Gao WB, Zacharias H
2532 - 2541	The infrared spectrum of the nitric oxide dimer cation: Problems for density functional theory and a muddled relationship to experiment Xie YM, Schaefer HF, Fu XY, Liu RZ
2542 - 2555	Bonding in hypohalous acids HOX (X=F, Cl, Br, and I) from the topological analysis of the electron localization function Berski S, Silvi B, Latajka Z, Leszczynski J
2556 - 2564	Autoionizing Rydberg states of NO in strong electric fields Warntjes JBM, Robicheaux F, Bakker JM, Noordam LD
2565 - 2587	A new six-dimensional analytical potential up to chemically significant energies for the electronic ground state of hydrogen peroxide Kuhn B, Rizzo TR, Luckhaus D, Quack M, Suhm MA
2588 - 2594	Electronic nonadiabaticity in highly vibrationally excited O-2(X (3)Sigma(-)(g)): Spin-orbit coupling between X (3)Sigma(-)(g) and b (1)Sigma(+)(g) Jongma RT, Shi SM, Wodtke AM
2595 - 2605	Photodissociation of HBr molecules and clusters: Anisotropy parameters, branching ratios, and kinetic energy distributions Baumfalk R, Buck U, Frischkorn C, Nahler NH, Huwel L
2606 - 2619	Photodissociation of Ar-HCl: An energy-resolved study of the dynamics of total fragmentation into H+Ar+Cl Juanes-Marcos JC, Garcia-Vela A
2620 - 2632	A quantum mechanical view of molecular alignment and cooling in seeded supersonic expansions Aquilanti V, Ascenzi D, Vitores MD, Pirani F, Cappelletti D
2633 - 2640	Structures and energetics of Ne-n-HN2+ clusters Meuwly M
2641 - 2646	The structure of fluid argon from high-pressure neutron diffraction and ab initio molecular dynamics simulations Pfleiderer T, Waldner I, Bertagnolli H, Todheide K, Kirchner B, Huber H, Fischer HE
2647 - 2656	A single-bond approach to orientation-dependent interactions and its implications for liquid water Truskett TM, Debenedetti PG, Sastry S, Torquato S
2657 - 2664	The induction period of the CaCl2-Na2CO3 system: Theory and experiment Chien WC, Tai CY, Hsu JP
2665 - 2677	Fractional power dependence of mean lifetime of electron transfer reaction on viscosity of solvent Okada A
2678 - 2685	Quadratic response of molecules in a nonequilibrium and equilibrium solvation model: Generalizations to include both singlet and triplet perturbations Poulsen TD, Ogilby PR, Mikkelsen KV
2686 - 2694	Exponential intermolecular dynamics in optical Kerr effect spectroscopy of small-molecule liquids Loughnane BJ, Scodinu A, Farrer RA, Fourkas JT, Mohanty U
2695 - 2700	Nonlinear thermal response at the glass transition Schick C, Merzlyakov M, Hensel A
2701 - 2709	Dynamical properties of the soft sticky dipole model of water: Molecular dynamics simulations Chandra A, Ichiye T
2710 - 2719	Translational-rotational coupling in supercooled liquids: Heterodyne detected density induced molecular alignment Hinze G, Francis RS, Fayer MD
2720 - 2725	Scattered and recoiled ion fractions from LiTaO3(100) surfaces with different electrical properties Kim Y, Kim SS, Ada E, Yang YL, Jacobson AJ, Rabalais JW
2726 - 2734	Diffusion and evaporation kinetics of large islands and vacancies on surfaces Lo A, Skodje RT
2735 - 2743	Simulation of self-diffusion of point-like and finite-size tracers in stochastically reconstructed Vycor porous glasses Kainourgiakis ME, Kikkinides ES, Stubos AK, Kanellopoulos NK
2744 - 2750	XPS studies of Ru-polypyridine complexes for solar cell applications Rensmo H, Westermark K, Sodergren S, Kohle O, Persson P, Lunell S, Siegbahn H
2751 - 2760	A transition-state theory approach to adsorbate dynamics at arbitrary loadings Tunca C, Ford DM
2761 - 2769	Screening ionic motion in sodalite cages: A dynamical study Filippone F, Gianturco FA
2770 - 2778	Surface-induced reactions of acetone cluster cations Mair C, Fiegele T, Biasioli F, Herman Z, Mark TD
2779 - 2788	Birefringence and second-order nonlinear optics as probes of polymer cooperative segmental mobility: Demonstration of Debye-type relaxation Hooker JC, Burghardt WR, Torkelson JM
2789 - 2796	Self-diffusion of an asymmetric diblock copolymer above and below the order-to-disorder transition temperature Fleischer G, Rittig F, Karger J, Papadakis CM, Mortensen K, Almdal K, Stepanek P
2797 - 2808	Wetting of a fluid interface by a homopolymer: A system with a rich prewetting behavior Leermakers FAM, Dorrepaal C, Besseling NAM
2809 - 2817	Associating polyelectrolytes: Finite size cluster stabilization versus physical gel formation Potemkin II, Vasilevskaya VV, Khokhlov AR
2818 - 2828	Complexation to macromolecules with a large number of sites Garces JL, Mas F, Puy J
2829 - 2841	On the nature of electronic excitations in poly(paraphenylenevinylene): A quantum-chemical investigation Beljonne D, Shuai Z, Cornil J, dos Santos DA, Bredas JL
2842 - 2843	Droplet size dependence upon volume expansion rate Ashurst WT, Holian BL
2844 - 2845	Comment on "Improving protein circular dichroism calculations in the far-ultraviolet through reparametrizing the amide chromophore" [J. Chem. Phys. 109, 782, (1998)] Woody RW, Sreerama N
2846 - 2847	Response to "Comment on 'Improving protein circular dichroism calculations in the far-ultraviolet through reparameterizing the amide chromophore' " [ J. Chem. Phys. 111, 2844 (1999)] Hirst JD, Besley NA
2848 - 2848	An advanced dielectric continuum approach for treating solvation effects: Time correlation functions. I. Local treatment (vol 108, pg 1103, 1998) Basilevsky MV, Parsons DF, Vener MV