| 455 - 459 |
Exciton confinement in organic dendrimer quantum wells for opto-electronic applications
Lupton JM, Samuel IDW, Burn PL, Mukamel S |
| 460 - 470 |
Dehydrogenation induced phase transitions of p-aminobenzoic acid on Cu(110)
Chen Q, Frankel DJ, Richardson NV |
| 471 - 479 |
First-principles analysis for the multiplet structures of tetrahedrally and octahedrally oxo-coordinated 3d(2) and 3d(3) transition metals
Ishii T, Ogasawara K, Adachi H |
| 480 - 493 |
Electronic correlation in cyclic polyenes. Performance of coupled-cluster methods with higher excitations
Podeszwa R, Kucharski SA, Stolarczyk LZ |
| 494 - 506 |
Solutions of mixed quantum-classical dynamics in multiple dimensions using classical trajectories
Wan CC, Schofield J |
| 507 - 514 |
Iterative path integral formulation of equilibrium correlation functions for quantum dissipative systems
Shao JS, Makri N |
| 515 - 524 |
Empirical correction to density functional theory for van der Waals interactions
Wu Q, Yang WT |
| 525 - 531 |
Zeeman quantum-beat spectroscopy of NO2: Eigenstate-resolved Lande g(F) factors near dissociation threshold
Xin J, Reid SA |
| 532 - 537 |
Perturbative study of spectral line shapes involving line-mixing and collision-duration asymmetry
Wang WF, Sirota JM |
| 538 - 546 |
Infrared multiphoton absorption and alignment of diatomic molecules in a continuous wave field
Van Leuven P, Malvaldi M, Persico M |
| 547 - 560 |
Vibronic coupling in excited states of acetone
ter Steege DHA, Wirtz AC, Buma WJ |
| 561 - 570 |
Photodetachment and theoretical study of free and water-solvated nitrate anions, NO3-(H2O)(n) (n=0-6)
Wang XB, Yang X, Wang LS, Nicholas JB |
| 571 - 580 |
Polarization spectroscopy using short-pulse lasers: Theoretical analysis
Roy S, Lucht RP, Reichardt TA |
| 581 - 588 |
Rotational branching in population transfer in H-2 by chirped adiabatic Raman passage
Sen S, Ghosh S, Bhattacharyya SS, Saha S |
| 589 - 593 |
Potential energy surfaces for the photochemical reactions Ca-*+H-2 -> CaH+H
Kim KH, Lee HS, Lee YS, Jeung GH |
| 594 - 607 |
High-resolution spectroscopy of HCl and DCl isolated in solid parahydrogen: Direct, induced, and cooperative infrared transitions in a molecular quantum solid
Anderson DT, Hinde RJ, Tam S, Fajardo ME |
| 608 - 616 |
Ab initio spin-orbit CI calculations of the potential curves and radiative lifetimes of low-lying states of lead monofluoride
Das KK, Petsalakis ID, Liebermann HP, Alekseyev AB, Buenker RJ |
| 617 - 628 |
The electronic states of Fe2S2-/0/+/2+
Hubner O, Sauer J |
| 629 - 645 |
Theory and first principles calculations of dissociative resonant photoionization: The evolution of atomic peaks and holes
Salek P, Carravetta V, Gel'mukhanov F, Agren H |
| 646 - 653 |
Infrared spectra of OCS-hydrogen complexes
Tang J, McKellar ARW |
| 654 - 665 |
Accurate quantum dynamics of electronically nonadiabatic chemical reactions in the DH2+ system
Kamisaka H, Bian W, Nobusada K, Nakamura H |
| 666 - 689 |
An accurate analytic H-4 potential energy surface
Boothroyd AI, Martin PG, Keogh WJ, Peterson MJ |
| 690 - 701 |
Anchoring the water dimer potential energy surface with explicitly correlated computations and focal point analyses
Tschumper GS, Leininger ML, Hoffman BC, Valeev EF, Schaefer HF, Quack M |
| 702 - 709 |
Computations of diffusivities in ice and CO2 clathrate hydrates via molecular dynamics and Monte Carlo simulations
Demurov A, Radhakrishnan R, Trout BL |
| 710 - 722 |
Double-quantum-filtered nuclear magnetic resonance spectroscopy applied to quadrupolar nuclei in solids
Painter AJ, Duer MJ |
| 723 - 729 |
A two-dimensional model of water: Solvation of nonpolar solutes
Urbic T, Vlachy V, Kalyuzhnyi YV, Southall NT, Dill KA |
| 730 - 736 |
Theory and simulation of the triplet structure factor and triplet direct correlation functions in binary mixtures
Jorge S, Lomba E, Abascal JLF |
| 737 - 746 |
The vibrational spectrum of the hydrated proton: Comparison of experiment, simulation, and normal mode analysis
Kim J, Schmitt UW, Gruetzmacher JA, Voth GA, Scherer NE |
| 747 - 754 |
A combined quantum chemistry and classical molecular interaction energy method for the determination of crystal geometries and energies
Ko GH, Fink WH |
| 755 - 761 |
Static nonlinear optical susceptibilities: Testing approximation schemes against exact results
Del Freo L, Terenziani F, Painelli A |
| 762 - 773 |
Rotational alignment in the photodesorption of CO from Cr2O3(0001): A systematic three-dimensional ab initio study
Thiel S, Pykavy M, Kluner T, Freund HJ, Kosloff R, Staemmler V |
| 774 - 783 |
Influence of palmitic acid and hexadecanol on the phase transition temperature and molecular packing of dipalmitoylphosphatidyl-choline monolayers at the air-water interface
Lee KYC, Gopal A, von Nahmen A, Zasadzinski JA, Majewski J, Smith GS, Howes PB, Kjaer K |
| 784 - 790 |
A density functional theory study of the adsorption of sulfur, mercapto, and methylthiolate on Au(111)
Gottschalck J, Hammer B |
| 791 - 797 |
Water confined in silica gel and in vycor glass at low and room temperature, x-ray diffraction study
Fouzri A, Dorbez-Sridi R, Oumezzine M |
| 798 - 813 |
The dynamics of the internal phonons tris(quinolin-8-olato) aluminum(III) in crystalline beta-phase
Degli Esposti A, Brinkmann M, Ruani G |
| 814 - 824 |
Adsorption and separation of hydrogen isotopes in carbon nanotubes: Multicomponent grand canonical Monte Carlo simulations
Challa SR, Sholl DS, Johnson JK |
| 825 - 831 |
Optical properties of point defects in SiO2 from time-dependent density functional theory
Raghavachari K, Ricci D, Pacchioni G |
| 832 - 836 |
Resolution of site-specific bonding properties of C-60 adsorbed on Au(111)
Rogero C, Pascual JI, Gomez-Herrero J, Baro AM |
| 837 - 844 |
Detection of collapsed and ordered polymer structures by fluorescence resonance energy transfer in stiff homopolymers: Bimodality in the reaction efficiency distribution
Srinivas G, Bagchi B |
| 845 - 853 |
Quasielastic neutron scattering study of the methyl group dynamics in polyisoprene
Zorn R, Frick B, Fetters LJ |
| 854 - 859 |
Simulation of polysilane and polysilyne formation and structure
Vink RLC, Barkema GT, van Walree CA, Jenneskens LW |
| 860 - 861 |
Raman spectroscopy and inhomogeneous broadening
Ricard D |
