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
ARTICLES
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
LETTERS TO THE EDITOR
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