The Journal of Chemical Physics, 2002, V 116, N 2, January 8.

TE Exciton confinement in organic dendrimer quantum wells for
opto-electronic applications
AU J.M.Lupton, I.D.W.Samuel, P.L.Burn, and S.Mukamel
PP 455-459


TE Dehydrogenation induced phase transitions of p-aminobenzoic acid on Cu(110) AU Qiao Chen, Daniel J.Frankel, and Neville V.Richardson PP 460-470 TE First-principles analysis for the multiplet structures of tetrahedrally and octahedrally oxo-coordinated 3d^{2} and 3d^{3} transition metals AU Takugo Ishii, Kazuyoshi Ogasawara, and Hirohiko Adachi PP 471-479 TE Electronic correlation in cyclic polyenes. Performance of coupled-cluster methods with higher excitations AU Rafal Podeszwa, Stanislaw A.Kucharski, and Leszek Z.Stolarczyk PP 480-493 TE Solutions of mixed quantum-classical dynamics in multiple dimensions using classical trajectories AU Chun-Cheng Wan and Jeremy Schofield PP 494-506 TE Iterative path integral formulation of equilibrium correlation functions for quantum dissipative systems AU Jiushu Shao and Nancy Makri PP 507-514 TE Empirical correction to density functional theory for van der Waals interactions AU Qin Wu and Weitao Yang PP 515-524 TE Zeeman quantum-beat spectroscopy of NO_{2}: Eigenstate-resolved Lande g_{F} factors near dissociation threshold AU Ju Xin and Scott A.Reid PP 525-531 TE Perturbative study of spectral line shapes involving line-mixing and collision-duration asymmetry AU W.F.Wang and J.Marcos Sirota PP 532-537 TE Infrared multiphoton absorption and alignment of diatomic molecules in a continuous wave field AU P.Van Leuven, M.Malvaldi, and M.Persico PP 538-546 TE Vibronic coupling in excited states of acetone AU D.H.A.ter Steege, A.C.Wirtz, and W.J.Buma PP 547-560 TE Photodetachment and theoretical study of free and water-solvated nitrate anions, NO_{3}^{-}(H_{2}O)_{n} (n=0-6) AU Xue-Bin Wang, Xin Yang, Lai-Sheng Wang, and John B.Nicholas PP 561-570 TE Polarization spectroscopy using short-pulse lasers: Theoretical analysis AU Sukesh Roy, Robert P.Lucht, and Thomas A.Reichardt PP 571-580 TE Rotational branching in population transfer in H_{2} by chirped adiabatic Raman passage AU Sanjay Sen, Swaralipi Ghosh, S.S.Bhattacharyya, and Samir Saha PP 581-588 TE Potential energy surfaces for the photochemical reactions Ca^{*}+H_{2}-->CaH+H AU Kyoung Hoon Kim, Hyo Sug Lee, Yoon Sup Lee, and Gwang-Hi Jeung PP 589-593 TE High-resolution spectroscopy of HCl and DCl isolated in solid parahydrogen: Direct, induced, and cooperative infrared transitions in a molecular quantum solid AU David T.Anderson, Robert J.Hinde, Simon Tam, and Mario E.Fajardo PP 594-607 TE Ab initio spin-orbit CI calculations of the potential curves and radiative lifetimes of low-lying states of lead monofluoride AU Kalyan K.Das, Ioannis D.Petsalakis, Heinz-Peter Liebermann, Aleksey B.Alekseyev, and Robert J.Buenker PP 608-616 TE The electronic states of Fe_{2}S_{2}^{-/0/+/2+} AU Olaf Huebner and Joachim Sauer PP 617-628 TE Theory and first principles calculations of dissociative resonant photoionization: The evolution of atomic peaks and holes AU P.Salek, V.Carravetta, F.Gel'mukhanov, and H.Agren PP 629-645 TE Infrared spectra of OCS-hydrogen complexes AU Jian Tang and A.R.W.McKellar PP 646-653 TE Accurate quantum dynamics of electronically nonadiabatic chemical reactions in the DH_{2}^{+} system AU Hideyuki Kamisaka, Wensheng Bian, Katsuyuki Nobusada, and Hiroki Nakamura PP 654-665 TE An accurate analytic H_{4} potential energy surface AU A.I.Boothroyd, P.G.Martin, W.J.Keogh, and M.J.Peterson PP 666-689 TE Anchoring the water dimer potential energy surface with explicitly correlated computations and focal point analyses AU Gregory S.Tschumper, Matthew L.Leininger, Brian C.Hoffman, Edward F.Valeev, Henry F.Schaefer III, and Martin Quack PP 690-701 TE Computations of diffusivities in ice and CO_{2} clathrate hydrates via molecular dynamics and Monte Carlo simulations AU Alexander Demurov, Ravi Radhakrishnan, and Bernhardt L.Trout PP 702-709 TE Double-quantum-filtered nuclear magnetic resonance spectroscopy applied to quadrupolar nuclei in solids AU A.James Painter and Melinda J.Duer PP 710-722 TE A two-dimensional model of water: Solvation of nonpolar solutes AU T.Urbic, V.Vlachy, Yu.V.Kalyuzhnyi, N.T.Southall, and K.A.Dill PP 723-729 TE Theory and simulation of the triplet structure factor and triplet direct correlation functions in binary mixtures AU S.Jorge, E.Lomba, and J.L.F.Abascal PP 730-736 TE The vibrational spectrum of the hydrated proton: Comparison of experiment, simulation, and normal mode analysis AU Jeongho Kim, Udo W.Schmitt, Julie A.Gruetzmacher, Gregory A.Voth, and Norbert E.Scherer PP 737-746 TE A combined quantum chemistry and classical molecular interaction energy method for the determination of crystal geometries and energies AU Gwon Hee Ko and William H.Fink PP 747-754 TE Static nonlinear optical susceptibilities: Testing approximation schemes against exact results AU Luca Del Freo, Francesca Terenziani, and Anna Painelli PP 755-761 TE Rotational alignment in the photodesorption of CO from Cr_{2}O_{3}(0001): A systematic three-dimensional ab initio study AU S.Thiel, M.Pykavy, T.Kluener, H.-J.Freund, R.Kosloff, and V.Staemmler PP 762-773 TE Influence of palmitic acid and hexadecanol on the phase transition temperature and molecular packing of dipalmitoylphosphatidyl-choline monolayers at the air-water interface AU Ka Yee C.Lee, Ajaykumar Gopal, Anja von Nahmen, Joseph A.Zasadzinski, Jaroslaw Majewski, Gregory S.Smith, Paul B.Howes, and Kristian Kjaer PP 774-783 TE A density functional theory study of the adsorption of sulfur, mercapto, and methylthiolate on Au(111) AU J.Gottschalck and B.Hammer PP 784-790 TE Water confined in silica gel and in vycor glass at low and room temperature, x-ray diffraction study AU Afif Fouzri, Rachida Dorbez-Sridi, and Mohamed Oumezzine PP 791-797 TE The dynamics of the internal phonons tris(quinolin-8-olato) aluminum(III) in crystalline beta-phase AU Alessandra Degli Esposti, Martin Brinkmann, and Giampiero Ruani PP 798-813 TE Adsorption and separation of hydrogen isotopes in carbon nanotubes: Multicomponent grand canonical Monte Carlo simulations AU Sivakumar R.Challa, David S.Sholl, and J.Karl Johnson PP 814-824 TE Optical properties of point defects in SiO_{2} from time-dependent density functional theory AU Krishnan Raghavachari, Davide Ricci, and Gianfranco Pacchioni PP 825-831 TE Resolution of site-specific bonding properties of C_{60} adsorbed on Au(111) AU C.Rogero, J.I.Pascual, J.Gomez-Herrero, and A.M.Baro PP 832-836 TE Detection of collapsed and ordered polymer structures by fluorescence resonance energy transfer in stiff homopolymers: Bimodality in the reaction efficiency distribution AU Goundla Srinivas and Biman Bagchi PP 837-844 TE Quasielastic neutron scattering study of the methyl group dynamics in polyisoprene AU R.Zorn, B.Frick, and L.J.Fetters PP 845-853 TE Simulation of polysilane and polysilyne formation and structure AU R.L.C.Vink, G.T.Barkema, C.A.van Walree, and L.W.Jenneskens PP 854-859

TE Raman spectroscopy and inhomogeneous broadening AU D.Ricard PP 860-861 TE Erratum: "Regularity in chaotic reaction paths. I. Ar_{6}" [J. Chem. Phys., v.110, 9160 (1999)] AU Tamiki Komatsuzaki and R.Stephen Berry PP 862