The Journal of Chemical Physics, 2002, V 117, N 6, 8 August.
ARTICLES
Theoretical Methods and Algorithms
TE Spectral difference methods for solving the differential
equations of chemical physics
AU David A.Mazziotti
PP 2455-2468
TE Boundary conditions and trajectories of diffusion processes
AU Mark F.Schumaker
PP 2469-2473
TE Anomalous behavior of the target decay on small world networks
AU F.Jasch and A.Blumen
PP 2474-2480
TE Analytical time-dependent Hartree-Fock schemes for the
evaluation of the hyper-Raman intensities
AU Olivier Quinet and Benoit Champagne
PP 2481-2488
TE Assessment of simple exchange-correlation energy functionals of
the one-particle density matrix
AU Viktor N.Staroverov and Gustavo E.Scuseria
PP 2489-2495
TE Electrostatics in periodic slab geometries. I
AU Axel Arnold, Jason de Joannis, and Christian Holm
PP 2496-2502
TE Electrostatics in periodic slab geometries. II
AU Jason de Joannis, Axel Arnold, and Christian Holm
PP 2503-2512
Gas Phase Dynamics and Structure: Spectroscopy, Molecular
Interactions, Scattering, and Photochemistry
TE State-resolved radiative lifetimes of the NH(A ^{3}Pi,v=0)
radical and rate constants for the quenching by NH_{3}
AU A.Hake and F.Stuhl
PP 2513-2517
TE State-to-state rate constants for the rotational relaxation of
NH(A ^{3}Pi,v=0) radicals in inelastic collisions with NH_{3}
AU A.Hake and F.Stuhl
PP 2518-2522
TE Raman and infrared linewidths of CO in Ar
AU F.Thibault, R.Z.Martinez, J.L.Domenech, D.Bermejo,
and J.-P.Bouanich
PP 2523-2531
TE Theoretical study of infrared and Raman spectra of hydrated
magnesium sulfate salts
AU Galina M.Chaban, Winifred M.Huo, and Timothy J.Lee
PP 2532-2537
TE Discovery of long-lived excited electronic states of chlorobenzene,
bromobenzene, benzonitrile, and phenyl acetylene cations
AU Yeu Young Youn, Chan Ho Kwon, Joong Chul Choe, and Myung Soo Kim
PP 2538-2545
TE Energy dependence of forward scattering in the differential
cross section of the H+D_{2}-->HD(v'=3,j'=0)+D reaction
AU F.J.Aoiz, L.Ban~ares, J.F.Castillo, and D.Sokolovski
PP 2546-2556
TE Experimental and theoretical study of the ion-molecule
association reaction NH_{4}^{+}+NH_{3}(+M)-->N_{2}H_{7}^{+}(+M)
AU S.Hamon, T.Speck, J.B.A.Mitchell, B.R.Rowe, and J.Troe
PP 2557-2567
TE NO angular distributions in the photodissociation of (NO)_{2} at
213 nm: Deviations from axial recoil
AU A.V.Demyanenko, A.B.Potter, V.Dribinski, and H.Reisler
PP 2568-2577
TE Ultraviolet photodissociation of bromoform at 234 and 267 nm by
means of ion velocity imaging
AU Dadong Xu, Joseph S.Francisco, Jianhua Huang,
and William M.Jackson
PP 2578-2585
TE Infrared spectra of N_{2}O-^{4}He, N_{2}O-^{3}He, and OCS-^{3}He
complexes
AU Jian Tang and A.R.W.McKellar
PP 2586-2591
TE A global potential energy surface of Ar_{2}H^{+} based on ab
initio calculations
AU Jun Yan Qu, Wei Li, Rui Guo, and Xin Sheng Zhao
PP 2592-2598
TE Theoretical study of proton transfer in ammonium nitrate clusters
AU Saman Alavi and Donald L.Thompson
PP 2599-2608
TE The effect of intermolecular interactions on the electric
properties of helium and argon. III. Quantum statistical
calculations of the dielectric second virial coefficients
AU Antonio Rizzo, Christof Haettig, Berta Fernandez, and Henrik Koch
PP 2609-2618
TE Low lying electronic states of rare gas-oxide anions:
Photoelectron spectroscopy of complexes of O^{-} with Ar, Kr, Xe, and N_{2}
AU Helen L.de Clercq, Jay H.Hendricks, and Kit H.Bowen
PP 2619-2628
TE Ab initio simulations of the KrO^{-} anion photoelectron spectra
AU A.A.Buchachenko, M.M.Szczesniak, Jacek Klos,
and Grzegorz Chalasinski
PP 2629-2634
TE Electronic photodissociation spectroscopy of isolated
IrX_{6}^{2-} (X=Cl,Br)
AU Jochen Friedrich, Stefan Gilb, Oli T.Ehrler, Anja Behrendt, and Manfred M.Kappes
PP 2635-2644
TE Multistate vibronic interactions in the benzene radical cation.
I. Electronic structure calculations
AU Martina Doescher, Horst Koeppel, and Peter G.Szalay
PP 2645-2656
TE Multistate vibronic interactions in the benzene radical cation.
II. Quantum dynamical simulations
AU H.Koeppel, M.Doescher, I.Baldea, H.-D.Meyer, and P.G.Szalay
PP 2657-2671
Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation
TE Time correlation function approach to liquid phase vibrational
energy relaxation: Dihalogen solutes in rare gas solvents
AU David W.Miller and Steven A.Adelman
PP 2672-2687
TE Time correlation function approach to liquid phase vibrational
energy relaxation: H_{2} and D_{2} solutes in Ar solvent
AU David W.Miller and Steven A.Adelman
PP 2688-2698
TE Structural and electronic properties of PbTiO_{3}, PbZrO_{3},
and PbZr_{0.5}Ti_{0.5}O_{3}: First-principles density-functional studies
AU J.A.Rodriguez, A.Etxeberria, L.Gonzalez, and A.Maiti
PP 2699-2709
TE A simplified model for the Briggs-Rauscher reaction mechanism
AU Kyoung-Ran Kim, Dong J.Lee, and Kook Joe Shin
PP 2710-2717
TE Solvent-induced symmetry breaking of nitrate ion in aqueous
clusters: A quantum-classical simulation study
AU Mariano C.Gonzalez Lebrero, Damian E.Bikiel, M.Dolores Elola,
Dario A.Estrin, and Adrian E.Roitberg
PP 2718-2725
TE Band structure, Born effective charges, and lattice dynamics of
CuInS_{2} from ab initio calculations
AU J.lazewski, P.T.Jochym, and K.Parlinski
PP 2726-2731
TE Temperature-dependent vibrational dephasing: Comparison of
liquid and glassy solvents using frequency-selected vibrational echoes
AU Qing-Hua Xu and M.D.Fayer
PP 2732-2740
TE Correlated orientational and translational motions in
supercooled liquids
AU Sarika Bhattacharyya, Arnab Mukherjee, and Biman Bagchi
PP 2741-2746
TE Nonequilibrium molecular dynamics simulations of a simple
dipolar fluid under shear flow
AU J.Liam McWhirter and G.N.Patey
PP 2747-2761
TE A hybrid quantum mechanical molecular mechanical method:
Application to hydration free energy calculations
AU Tamer Shoeib, Giuseppe D.Ruggiero, K.W.Michael Siu,
Alan C.Hopkinson, and Ian H.Williams
PP 2762-2770
TE X-ray absorption spectroscopy studies of ionic association in
aqueous solutions of zinc bromide from normal to critical conditions
AU V.Simonet, Y.Calzavara, J.L.Hazemann, R.Argoud, O.Geaymond,
and D.Raoux
PP 2771-2781
TE Amorphous solid water's isotopic exchange kinetics
AU G.P.Johari
PP 2782-2789
TE Are members of the family of hydrogen-bonded complexes formed by
furan with the hydrogen halides isostructural? An answer from
the rotational spectrum of furan...HBr
AU G.C.Cole, A.C.Legon, and P.Ottaviani
PP 2790-2799
TE Spectrum analysis, correlation crystal-field effects and f-f
transition intensities of U^{3+} in LaCl_{3}
AU M.Karbowiak, J.Drozdzynski, and M.Sobczyk
PP 2800-2808
Surfaces, Interfaces, and Materials
TE Mechanism for linear and nonlinear optical effects in SrBe_{3}O_{4} crystal
AU Zheshuai Lin, Zhizhong Wang, Huatong Yang, Chuangtian Chen,
and Ming-Hsien Lee
PP 2809-2813
TE Influence of the quench rate and the pressure on the glass
transition temperature in selenium
AU D.Caprion and H.R.Schober
PP 2814-2818
TE Structural investigation of thiophene thiol adsorption on Au
nanoclusters: Influence of back bonds
AU Chiranjib Majumder, Tina M.Briere, Hiroshi Mizuseki, and Yoshiyuki Kawazoe
PP 2819-2822
TE Carbonate formation on the O-enriched RuO_{2}(110) surface
AU A.Lafosse, Y.Wang, and K.Jacobi
PP 2823-2831
TE Correlated motion of small Ag clusters and Ge dimer-buckling on Ge(001)
AU Y.Naitoh, K.Nakatsuji, and F.Komori
PP 2832-2835
TE Transfer matrix approach to quantum conductivity calculations in
single-wall carbon nanotubes
AU Antonis N.Andriotis, Madhu Menon, and Deepak Srivastava
PP 2836-2843
TE Electron trapping at neutral divacancy sites on the MgO surface
AU Davide Ricci, Gianfranco Pacchioni, Peter V.Sushko,
and Alexander L.Shluger
PP 2844-2851
TE Temperature dependence of water dynamics at an aqueous micellar
surface: Atomistic molecular dynamics simulation studies of a complex system
AU Subrata Pal, Sundaram Balasubramanian, and Biman Bagchi
PP 2852-2859
TE Equilibrium correlations in interfaces between two immiscible liquids
AU J.Stecki and S.Toxvaerd
PP 2860-2866
TE The rate of electrochemical electron-transfer reactions
AU W.Schmickler and J.Mohr
PP 2867-2872
TE Nonlinear optical properties of linear chain phosphazenes,(PN)_{x}
AU Prakash Chandra Jha, Anu Krishnan, Puspendu K.Das, and S.Ramasesha
PP 2873-2881
TE Heterodyned impulsive stimulated Raman scattering of
phonon-polaritons in LiTaO_{3} and LiNbO_{3}
AU Timothy F.Crimmins, Nikolay S.Stoyanov, and Keith A.Nelson
PP 2882-2896
TE Direct visualization of phonon-polariton focusing and amplitude
enhancement
AU Nikolay S.Stoyanov, David W.Ward, Thomas Feurer, and Keith A.Nelson
PP 2897-2901
TE N_{2}O and NO_{2} formation on Pt(111): A density functional theory study
AU R.Burch, S.T.Daniells, and P.Hu
PP 2902-2908
TE Electron (hole) paramagnetic resonance of spherical CdSe nanocrystals
AU K.Gokhberg, A.Glozman, E.Lifshitz, T.Maniv, M.C.Schlamp, and P.Alivisatos
PP 2909-2913
TE Shapes of voltammogram spikes explained as resulting from the
effects of finite electrode crystal sizes
AU Dale A.Huckaby and Igor Medved'
PP 2914-2922
TE On the origin of stationary concentration patterns in the
H_{2}+O_{2} reaction on a microstructured Rh(110)/Pt surface with potassium
AU S.Guenther, H.Marbach, R.Hoyer, R.Imbihl, L.Gregoratti,
A.Barinov, and M.Kiskinova
PP 2923-2933
Polymers, Biopolymers, and Complex Systems
TE Monte Carlo study of liquid crystal phases of hard and soft
spherocylinders
AU A.Cuetos, B.Martinez-Haya, L.F.Rull, and S.Lago
PP 2934-2946
TE Like-charge colloid-polyelectrolyte complexation
AU Rene Messina, Christian Holm, and Kurt Kremer
PP 2947-2960
TE Intrinsic and extrinsic charge carrier photogeneration in phenyl-substituted
polyphenylenevinylene-trinitrofluorenone blend systems
AU C.Im, E.V.Emelianova, H.Baessler, H.Spreitzer, and H.Becker
PP 2961-2967
TE A Brillouin scattering study of end-linked
poly(dimethylsiloxane) networks
AU Moitreyee Sinha, J.E.Mark, Howard E.Jackson, and D.Walton
PP 2968-2974
TE Application of density functional theory to tethered polymer
chains: Athermal systems
AU John D.McCoy, Yuan Ye, and John G.Curro
PP 2975-2986
LETTERS TO THE EDITOR
Notes
TE Concentration dependence of the diffusion controlled
steady-state rate constant
AU I.V.Gopich, A.M.Berezhkovskii, and Attila Szabo
PP 2987-2988
Errata
TE Erratum: "The accuracy of atomization energies from explicitly
correlated coupled-cluster calculations" [J. Chem. Phys. 115, 2022 (2001)]
AU Jozef Noga, Pierre Valiron, and Wim Klopper
PP 2989
TE Erratum: "Dissipative particle dynamics study of spontaneous
vesicle formation of amphiphilic molecules" [J. Chem. Phys., v.116, 5842 (2002)]
AU Satoru Yamamoto, Yutaka Maruyama, and Shi-aki Hyodo
PP 2990