Journal of Chemical Physics

Journal of Chemical Physics, Vol.108, No.20 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (51 articles)

8291 - 8294	Photolysis of ICl causes mass-dependent interference in the Cl(P-2(3/2)) photofragment angular momentum distributions Rakitzis TP, Kandel SA, Zare RN
8295 - 8301	Non-Abelian point group symmetry in direct second-order many-body perturbation theory calculations of NMR chemical shifts Kollwitz M, Haser M, Gauss J
8302 - 8316	Polyatomic molecular potential energy surfaces by interpolation in local internal coordinates Thompson KC, Jordan MJT, Collins MA
8317 - 8330	A self-consistent version of quasidegenerate perturbation theory Khait YG, Hoffmann MR
8331 - 8354	Multiphoton transition moments and absorption cross sections in coupled cluster response theory employing variational transition moment functionals Hattig C, Christiansen O, Jorgensen P
8355 - 8359	Coupled cluster response calculations of two-photon transition probability rate constants for helium, neon and argon Hattig C, Christiansen O, Jorgensen P
8360 - 8368	Extraction of spectral information from a short-time signal using filter-diagonalization: Recent developments and applications to semiclassical reaction dynamics and nuclear magnetic resonance signals Pang JW, Dieckmann T, Feigon J, Neuhauser D
8369 - 8373	Submillimeter-wave spectral lines of negative ions (SH- and SD-) identified by their Doppler shift Civis S, Walters A, Tretyakov MY, Bailleux S, Bogey M
8374 - 8380	Selective excitation of the ion pair surface in the intracluster Ca-HCl* harpoon reaction Lawruszczuk R, Elhanine M, Soep B
8381 - 8393	Experimental and ab initio study of the infrared spectra of ionic species derived from PF5, PF3, and F3PO and trapped in solid neon Lugez CL, Irikura KK, Jacox ME
8394 - 8399	Particle distribution of a one-dimensional imperfect annihilation reaction in the gas phase Sheu WS, Chen HY
8400 - 8407	Measurement of the absolute yield of CO(a(3)Pi)+O products in the dissociative recombination of CO2+ ions with electrons Skrzypkowski MP, Gougousi T, Johnsen R, Golde MF
8408 - 8417	Vibrational overtones in the electronic ground state of the benzene-Ar complex: A combined experimental and theoretical analysis Neuhauser R, Braun J, Neusser HJ, van der Avoird A
8418 - 8428	Molecular orbital study of H-2 and CH4 activation on small metal clusters. I. Pt, Pd, Pt-2, and Pd-2 Cui Q, Musaev DG, Morokuma K
8429 - 8435	Double-resonance spectroscopy of the high Rydberg states of HCO. III. Multiple pathways in the vibrational autoionization of the bending overtone Mayer EE, Hedderich HG, Grant ER
8436 - 8445	Internal rotation effects in the rotationally resolved S-1(L-1(b))<- S-0 origin bands of 3-methylindole and 5-methylindole Remmers K, Jalviste E, Mistrik I, Berden G, Meerts WL
8446 - 8455	Experimental and computational study of neutral xenon halides (XeX) in the gas phase for X=F, Cl, Br, and I Schroder D, Harvey JN, Aschi M, Schwarz H
8456 - 8460	Isomerization activation barrier of a three atom dipolar cluster Cheng VKW
8461 - 8471	Vibrational relaxation of ClO2 in water Poulsen JA, Thomsen CL, Keiding SR, Thogersen J
8472 - 8478	After-effects of the Co-57(EC)Fe-57 nuclear decay in tris(2,2 '-bipyridyl)cobalt(II) encapsulated in the supercage of zeolite Y Vanko G, Homonnay Z, Nagy S, Vertes A, Spiering H, Gutlich P
8479 - 8484	Description of ligand field splitting in terms of density functional theory: Split levels of the lowest-lying subterms of the 4f(n-1)6s(2) (n=3-14) configurations in lanthanide monofluorides LnF (Ln=Pr-Yb) Ren J, Whangbo MH, Dai DD, Li LM
8485 - 8488	Two-pulse photon echoes from zinc-meso-tetraphenylporphine/polymethylmethacrylate are not consistent with the tunneling two-level system model Geva E, Skinner JL
8489 - 8498	A femtosecond snapshot of crystalline order in molecular liquids Ratajska-Gadomska B, Gadomski W, Wiewior P, Radzewicz C
8499 - 8509	Tunneling currents in long-distance electron transfer reactions. III. Many-electron formulation Stuchebrukhov AA
8510 - 8520	Tunneling currents in long-distance electron transfer reactions. IV. Many-electron formulation. Nonorthogonal atomic basis sets and Mulliken population analysis Stuchebrukhov AA
8521 - 8527	Towards a quantum-chemical description of crystalline insulators: A Wannier-function-based Hartree-Fock study of Li2O and Na2O Shukla A, Dolg M, Fulde P, Stoll H
8528 - 8540	Analysis of the hydrogen-bonded structure of water from ambient to supercritical conditions Jedlovszky P, Brodholt JP, Bruni F, Ricci MA, Soper AK, Vallauri R
8541 - 8549	Vibrational relaxation study of O-3 in rare gas and nitrogen matrices by time resolved infrared-infrared double resonance spectroscopy Dahoo PR, Jasmin D, Brosset P, Gauthier-Roy B, Abouaf-Marguin L
8550 - 8556	Decay of single and double quantum coherences in deuterated glassy ortho-terphenyl Kircher O, Diezemann G, Bohmer R, Hinze G, Schug KU, Sillescu H, Zimmermann H
8557 - 8571	Kinetic theory of bimolecular reactions in liquid. II. Reversible reaction A+B reversible arrow C+B Yang M, Lee S, Shin KJ
8572 - 8583	A field theory study of the effect of specific interactions in ionic systems: A simple model di Caprio D, Stafiej J, Badiali JP
8584 - 8588	A density functional study of the electronic structure of sodalite Thomson KT, Wentzcovitch RM
8589 - 8594	Multiple quantum filtering and spin exchange in solid state nuclear magnetic resonance Ba Y, Ripmeester JA
8595 - 8598	Surface femtochemistry of CO/O-2/Pt(111): The importance of nonthermalized substrate electrons Her TH, Finlay RJ, Wu C, Mazur E
8599 - 8604	Optical limiting properties and dynamics of induced absorption in C-60-doped solid xerogel matrices Schell J, Brinkmann D, Ohlmann D, Honerlage B, Levy R, Joucla M, Rehspringer JL, Serughetti J, Bovier C
8605 - 8614	Collision induced desorption of N-2 from Ru(001) Romm L, Zeiri Y, Asscher M
8615 - 8625	Investigation of the rotational motion of self-assembled fatty acid films: An electron paramagnetic resonance line shape analysis Risse T, Hill T, Schmidt J, Abend G, Hamann H, Freund HJ
8626 - 8639	How do quantum effects change conclusions about heterogeneous cluster behavior based on classical mechanics simulations? Chartrand DJ, Le Roy RJ
8640 - 8650	Collision-induced activation of the beta-hydride elimination reaction of isobutyl iodide dissociatively chemisorbed on Al(111) Lohokare SP, Crane EL, Dubois LH, Nuzzo RG
8651 - 8661	The structure and adsorption of the four bonding sites model for associating fluids in disordered porous media from replica Ornstein-Zernike integral equation theory Kovalenko A, Pizio O
8662 - 8670	Vibrational and nonlinear optical properties of rylenes calculated by ab initio methods Rumi M, Zerbi G, Mullen K
8671 - 8679	Anomalous hydrogen adsorption sites found for the c(2x2)-3H phases formed on the Re(10(1)over-bar-0) and Ru(10(1)over-bar-0) surfaces Doll R, Hammer L, Heinz K, Bedurftig K, Muschiol U, Christmann K, Seitsonen AP, Bludau H, Over H
8680 - 8688	An infrared study of H8Si8O12 cluster adsorption on Si(100) surfaces Eng J, Raghavachari K, Struck LM, Chabal YJ, Bent BE, Banaszak-Holl MM, McFeely FR, Michaels AM, Flynn GW, Christman SB, Chaban EE, Williams GP, Radermacher K, Mantl S
8689 - 8697	Two-stage capillary condensation in pores with structured walls: A nonlocal density functional study Rocken P, Somoza A, Tarazona P, Findenegg G
8698 - 8704	A statistical rate theory study of interface concentration during crystal growth or dissolution Dejmek M, Ward CA
8705 - 8712	Kinetically accessible compact conformations of chain molecules Yoshie N, Yamamoto K
8713 - 8724	Dynamic simulation of diblock copolymer microphase separation Groot RD, Madden TJ
8725 - 8735	Flexible conducting polymers: An analytic approach Hone DW, Orland H
8736 - 8742	Theory for the nonequilibrium dynamics of flexible chain molecules: Relaxation to equilibrium of pentadecane from an all-trans conformation Tang WH, Kostov KS, Freed KF
8743 - 8748	Finite extensibility effects in nematic elastomers Mao Y, Warner M, Terentjev EM, Ball RC
8749 - 8750	Comment on "Ionization potentials and electron affinities from the extended Koopmans' theorem applied to energy derivative density matrices: The EKTMPn and EKTQCISD methods" [J. Chem. Phys. 107, 6804 (1997)] Chen ES, Chen ECM, Kozanecki N