Journal of Chemical Physics, 1998, V 108, N 20, 22 May.

TE Investigation of the rotatonal motion of self assembled fatty acid
   films. An EPR line shape analysis
AU T.Risse, T.Hill, J.Schmidt, G.Abend, H.Hamann, and H.-J.Freund

TE Submillimeter-wave spectral lines of negative ions (SH{^-} and
   SD{^-}) identified by their Doppler shift
AU S.Civis, A.Walters, M.Yu Tretyakov, S.Bailleux, and M.Bogey

TE Tunneling currents in long-distance electron transfer reactions.
   III. Many-electron formulation
AU Alexei A.Stuchebrukhov

TE Tunneling currents in long-distance electron transfer reactions.
   IV. Many electron formulation. Non-orthogonal atomic basis sets
   and Mulliken population analysis
AU Alexei A.Stuchebrukhov

TE Non-abelian point group symmetry in direct second-order many-body
   perturbation theory calculations of NMR chemical shifts
AU Markus Kollwitz, Marco Haser, and Jurgen Gauss

TE How do quantum effects change conclusions about heterogeneous
   cluster behavior based on classical mechanics simulations?
AU Darryl J.Chartrand and Robert J.Le Roy

TE Selective excitation of the ion pair surface in the intracluster
   Ca-HCl* harpoon reaction
AU R.Lawruszczuk, M.Elhanine, and B.Soep

TE Molecular orbital study of H{_2} and CH{_4} activation
   on small metal clusters. I. Pt, Pd, Pt{_2} and Pd{_2}
AU Qiang Cui, Djamaladdin G.Musaev, and Keiji Morokuma

TE Surface femtochemistry of CO/O{_2}/Pt(111). The importance of
   nonthermalized substrate electrons
AU Tsing-Hua Her, Richard J.Finlay, Claudia Wu, and Eric Mazur

TE Collision induced desorption of N{_2} from Ru(001)
AU L.Romm, Y.Zeiri, and M.Asscher

TE Vibrational relaxation of Cl0{_2} in water
AU J.Aa.Poulsen, C.L.Thomsen, S.R.Keiding, and J.Thogersen

TE Extraction of spectral information from a short-time signal using
   filter-diagonalization. Recent developments and applications to
   semiclassical reaction dynamics and NMR signals
AU John W.Pang, Thorsten Dieckmann, Juli Feigon, and Daniel Neuhauser

TE Anomalous hydrogen adsorption sites found for the c(2x2)-3H phases
   formed on the Re(101{^-}0) and Ru(101{^-}0) surfaces
AU R.Doll, L.Hammer, K.Heinz, K.Bedurftig, U.Muschiol, K.Christmann,
   A.P.Seitsonen, H.Bludau, and H.Over

TE 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)]
AU Edward S.Chen, Edward C.M.Chen, and N.Kozanecki

TE Vibrational relaxation study of O{_3} in rare gas and nitrogen
   matrices by time resolved infrared-infrared double resonance
   spectroscopy
AU P.R.Dahoo, D.Jasmin, P.Brosset, B.Gauthier-Roy, and L.Abouaf-Marguin

TE 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)
AU J.Ren, M.-H.Whangbo, Dadi Dai, and Lemin Li

TE A self-consistent version of quasi-degenerate perturbation theory
AU Yuriy G.Khait and Mark R.Hoffmann

TE Collisions of O({^1}D) with HF, F{_2}, XeF{_2}, NF{_3}, and CF{_4}.
   Deactivation and reaction
AU V.I.Sorokin, N.P.Gritsan, and A.I.Chichinin

TE Vibrational overtones in the electronic ground state of the
   benzene-Ar complex. A combined experimental and theoretical analysis
AU R.Neuhauser, J.Braun, H.J.Neusser, and A.van der Avoird

TE Vibrational and nonlinear optical properties
   of rylenes calculated by ab initio methods
AU Mariacristina Rumi, Giuseppe Zerbi, and Klaus Mullen

TE Internal rotation effects in the rotationally resolved
   S{_1}({^1}L{_b})<-- S{_0} origin bands of 3-methylindole
   and 5-methylindole
AU Karen Remmers, Erko Jalviste, Ivan Mistrik Giel Berden,
   and W.Leo Meerts

TE Experimental and computational study of neutral xenon halides (XeX)
   in the gas phase for X = F, Cl, Br, and I
AU Detlef Schroder, Jeremy N.Harvey, Massimiliano Aschi,
   and Helmut Schwarz

TE The role of adsorbed alkali metal atoms in the enhancement of
   surface reactivity. A STM study of low coverage K/Si(111)7x7
   surfaces
AU D.Gorelik, S.Alonim, J.Eitle, D.Meyler, and G.Haase

TE Collision-induced activation of the {beta}-hydride elimination
   reaction of isobutyl iodide dissociatively chemisorbed on Al(111)
AU Shrikant P.Lohokare, Elizabeth L.Crane, Lawrence H.Dubois,
   and Ralph G.Nuzzo

TE Multiphoton transition moments and absorption cross sections in
   coupled cluster response theory employing variational transition
   moment functionals
AU Christof Hattig, Ove Christiansen, and Poul Jorgensen

TE Coupled cluster response calculations of two-photon transition
   probability rate constants for helium, neon and argon
AU Christof Hattig, Ove Christiansen, and Poul Jorgensen

TE Spin contamination in quantum Monte Carlo wave functions
AU Chien-Jung Huang, Claudia Filippi, and C.J.Umrigar

TE An infrared study of H{_8}Si{_8}O{_12} cluster adsorption on
   Si(100) surfaces
AU Joseph Eng Jr., Krishnan Raghavachari, Lisa M.Struck, Yves J.Chabal,
   Brian E.Bent, Mark M.Banaszak-Holl, F.R.McFeely, Amy M.Michaels,
   George W.Flynn, Stan B.Christman, Ed E.Chaban, Gwyn P.Williams,
   Klaus Radermacher, and Siegfried Mantl

TE Isomerization activation barrier of a three atom dipolar cluster
AU Vincent K.W.Cheng

TE Measurement of the absolute yield of CO(a{^3}{PI}) + O products in
   the dissociative recombination of CO{_2}{^+} ions with electrons
AU Miroslaw P.Skrzypkowski, Theodosia Gougousi, Rainer Johnsen,
   and Michael F.Golde

TE Two-pulse photon echoes from
   zinc-meso-tetraphenylporphine/polymethylmethacrylate
   are not consistent with the tunneling two-level system model
AU Eitan Geva and J.L.Skinner

TE Double-resonance spectroscopy of the high Rydberg states of HCO.
   III. Multiple pathways in the vibrational autoionization of the
   bending overtone
AU Eric E.Mayer, Hartmut G.Hedderich, and Edward R.Grant

TE Experimental and ab initio study of the infrared spectra of ionic
   species derived from PF{_5}, PF{_3}, and F{_3}PO and trapped in
   solid neon
AU Catherine L.Lugez, Karl K.Irikura, and Marilyn E.Jacox

TE Mechanisms of solvation dynamics of polyatomic solutes in polar and
   nondipolar solvents. A simulation study
AU Branka M.Ladanyi and Mark Maroncelli

TE Polyatomic molecular potential energy surfaces
   by interpolation in local internal coordinates
AU Keiran C.Thompson, Meredith J.T.Jordan, and Michael A.Collins

TE After-effects of the {^57}Co(EC){^57}Fe nuclear decay
   in tris(2,2'-bipyridyl)cobalt(II) encapsulated in the
   supercage of zeolite-Y
AU Gyorgy Vanko, Zoltan Homonnay, Sandor Nagy, Attila Vertes,
   Hartmut Spiering, and Philipp Gutlich

TE The structure and adsorption of the four bonding sites model for
   associating fluids in disordered porous media from replica
   Ornstein-Zernike integral equation theory
AU Andriy Kovalenko and Orest Pizio

TE Overcoming stability limitations in biomolecular dynamics.
   I. Combining force splitting via extrapolation with Langevin
   dynamics in LN
AU Eric Barth and Tamar Schlick

TE Extrapolation versus impulse in multiple-time-stepping schemes.
   II. Linear analysis and applications to Newtonian and Langevin
   dynamics
AU Eric Barth and Tamar Schlick

TE Dynamic simulation of diblock copolymer microphase separation
AU Robert D.Groot and Timothy J.Madden

TE A femtosecond snap-shot of crystalline order in molecular liquids
AU B.Ratajska-Gadomska, W.Gadomski, P.Wiewior, and C.Radzewicz

TE Particle distribution of a 1D imperfect annihilation reaction in the
   gas phase
AU Wen-Shyan Sheu and Hsing-Yin Chen

TE Theory for the nonequilibrium dynamics of flexible chain molecules.
   Relaxation to equilibrium of pentadecane from an all-trans
   conformation
AU Wilfred H.Tang, Konstantin S.Kostov, and Karl F.Freed

TE Finite extensibility effects in nematic elastomers
AU Y.Mao, M.Warner, E.M.Terentjev, and R.C.Ball

TE A statistical rate theory study of interface concentration during
   crystal growth or dissolution
AU M.Dejmek and C.A.Ward

TE Two-stage capillary condensation in pores with structured walls.
   A non-local density functional study
AU Petra Roecken, Andres Somoza, Pedro Tarazona, and Gerhard Findenegg

TE Flexible conducting polymers. An analytic approach
AU Daniel W.Hone and Henri Orland

TE Substrate-induced order in confined nematic liquid-crystal films
AU Thomas Gruhn and Martin Schoen

TE A field theory study of the effect of specific interactions in
   ionic systems. A simple model
AU D.di Caprio, J.Stafiej, and J.P.Badiali

TE Optical limiting properties and dynamics of induced
   absorption in C{_60}-doped solid xerogel matrices
AU J.Schell, D.Brinkmann, D.Ohlmann, B.Hoenerlage, R.Levy, M.Joucla,
   J.L.Rehspringer, J.Serughetti, and C.Bovier

TE Electrostatic calculations and multiple time scales in molecular
   dynamics simulation of flexible molecular systems
AU Piero Procacci and Massimo Marchi

TE Kinetically accessible compact conformations of chain molecules
AU Naoko Yoshie and Keigo Yamamoto

TE Kinetic theory of bimolecular reactions in a liquid.
   II. Reversible reaction A + B {^-->}{_<--} C + B
AU Mino Yang, Sangyoub Lee, and Kook Joe Shin

TE Decay of single and double quantum coherences
   in deuterated glassy ortho-terphenyl
AU Oliver Kircher, Gregor Diezemann, Roland Boehmer, Gerald Hinze,
   Hans Sillescu, and Herbert Zimmermann

TE Thermodynamic and structural properties of the
   path-integral quantum hard-sphere fluid
AU Luis M.Sese