Journal of Chemical Physics, 1998, V 109, N 7, 15 Aug.


TE Calculation of H + H{_2} and H + D{_2} reaction probabilities within
   the multiconfiguration time-dependent Hartree approach employing an
   adiabatic correction scheme
AU A.Jackle and H.-D.Meyer

TE An accurate ab initio HOCl potential energy surface, vibrational and
   rotational calculations, and comparison with experiment
AU Sergei Skokov, Kirk A.Peterson, and Joel M.Bowman

TE Erratum: The Kirchhoff elastic rod, the nonlinear Schrodinger
   equation, and DNA supercoiling [J.Chem.Phys.101 (6), 5186 (1994)]
AU Y.Shi, J.E.Hearst, T.C.Bishop, and H.R.Halvorson

TE Predictions of rate constants and estimates for tunneling splittings
   of concerted proton transfer in small cyclic water clusters
AU Thomas Loerting, Klaus R.Liedl, and Bernd M.Rode

TE Microwave spectrum and molecular structure of the H{_2}NS radical
AU Hideta Habara, Satoshi Yamamoto, and Shuji Saito

TE Ab-initio relativistic pseudopotential study of small silver and
   gold sulfide clusters (M{_2}S){_n}, n = 1 and 2
AU Alexander A Bagatur'yants, Andrei A.Safonov, Hermann Stoll,
   and Hans-Joachim Werner

TE Very strong hydrogen bonds in neutral molecules.
   The phosphinic acid dimers
AU Leticia Gonzalez, Otilia Mo, Manuel Yanez, and Jose Elguero

TE Conductance spectra of molecular wires
AU Weidong Tian, Supriyo Datta, Seunghun Hong, R.Reifenberger,
   Jason I.Henderson, and Clifford P.Kubiak

TE Globally uniform semiclassical wave functions
   for multidimensional systems
AU M.Madhusoodanan and K.G.Kay

TE The exchange energy functional in a weak magnetic field
AU Robert A.Harris and Freddie R.Salsbury, Jr.

TE An accelerated metropolis method
AU M.L.Stedman, W.M.C.Foulkes, and M.Nekovee

TE New vibrational analysis of the {^1}B{_2}({^1}{DELTA}{_u})-state
   of CS{_2}
AU G.Brasen, M.Leidecker, W.Demtroder, T.Shimamoto, and H.Kato

TE A theoretical study of photofragmentation and
   geminate recombination of ICN in solid Ar
AU S.Fernandez Alberti, N.Halberstadt, J.A.Beswick, and J.Echave

TE Nonresonant intermolecular spectroscopy beyond
   the Placzek approximation. I.Third-order spectroscopy
AU Robert L.Murry, John T.Fourkas, and T.Keyes

TE The (1){^1}{ZETA}{_g} state of {^39}K{_2} revisited
AU I.Russier, M.Aubert-Frecon, A.J.Ross, F.Martin, A.Yiannopoulou,
   and P.Crozet

TE A study of O{_2}(a{^1}{DELTA}{_g}L) with photoelectron spectroscopy
   using synchrotron radiation
AU Jonathan D.Barr, Alberto De Fanis, John M.Dyke, Stuart D.Gamblin,
   Alan Morris, Stefano Stranges, John B.West, Timothy G.Wright,
   and Andrew E.Wright

TE Photodissociation of ozone in the Chappuis band.
   III. Product state distributions
AU Heiner Flothmann, Reinhard Schinke, Clemens Woywod,
   and Wolfgang Domcke

TE Spectroscopy of buffer-gas cooled vanadium monoxide
   in a magnetic trapping field
AU Jonathan D.Weinstein, Robert deCarvalho, Karine Amar, Andreea Boca,
   Brian C.Odom, Bretislav Friedrich, and John M.Doyle

TE Dissipative tunneling control by elliptically polarized fields
AU Ludwig Hartmann, Milena Grifoni and Peter Hanggi

TE Deuterium dissociation on ordered Sn/Pt(111) surface alloys
AU P.Samson, A.Nesbitt, B.E.Koel, and A.Hodgson

TE Rigid particles in an elastic polymer network.
   An electrical-analogue approach
AU Giuseppe Allegra and Guido Raos

TE Spectroscopic studies of luminescent and ionically conducting
   Eu[N(CF{_3}SO{_2}){_2}]{_3}-PPG4000 complexes
AU Anders Ferry, Maurizio Furlani, Axel Franke, Per Jacobsson,
   and Bengt-Erik Mellander

TE A classical molecular dynamics study of recombination reactions in
   a microporous solid
AU Francesco Delogu, Pierfranco Demontis, Giuseppe B.Suffritti
   and Antonio Tilocca

TE Pressure calculation in polar and charged systems using Ewald
   summation. Results for the extended simple point charge model of
   water
AU Gerhard Hummer, Niels Gronbech-Jensen, and Martin Neumann

TE Critical behavior of uniaxial-biaxial nematic phase transition
AU Prabir K.Mukherjee

TE Neutron diffraction study of high density supercritical water
AU Alberto Botti, Fabio Bruni, Maria Antonietta Ricci, and A.K.Soper

TE A new algorithm for reverse Monte Carlo simulations
AU Fernando Luis B.da Silva, Bo Svensson, Torbjorn Akesson,
   and Bo Jonsson

TE Exploring the space of protein folding Hamiltonians.
   The balance of forces in a minimalist {beta}-barrel model
AU Joan-Emma Shea, Yigal D.Nochomovitz, Zhuyan Guo,
   and Charles L.Brooks, III

TE Excited states and solvatochromic shifts within a nonequilibrium
   solvation approach. A new formulation of the integral equation
   formalism (IEF) method at the self consistent field,...
AU Benedetta Mennucci, Roberto Cammi, and Jacopo Tomasi

TE Dynamics of alkane chains included in an organic matrix.
   Molecular dynamics simulation and comparison with neutron
   scattering experiment
AU Nhan-Duc Morelon, Gerald R.Kneller, Michel Ferrand, Andre Grand,
   Jeremy C.Smith, and Marc Bee

TE {^35}Cl NQR study of lattice dynamics in SnCl{_4}{^.}5H{_2}O
   comprising uncoordinated water molecules
AU Dong Keun Oh, Young Man Kwon, C.Rhee, Cheol Eui Lee,
   and Jun-Kun Kang

TE Molecular dynamics of polymer growth
AU Reinier L.C.Akkermans, Soren Toxvaerd, and W.J.Briels

TE The Hartree-Fock calculation of the magnetic properties of
   molecular solutes
AU R.Cammi

TE Temperature dependance of properties of
   star-branched polymers. A computer simulation study
AU Piotr Romiszowski and Andrzej Sikorski

TE Numerical study of scattering from chains composed of two
   non-segregated labeled blocks in an athermal solvent.
   Effects of compositional heterogeneity
AU Luis A.Molina and Juan J.Freire

TE Inter-system crossing catalysed by solute encounters
AU I.V.Gopich and A.I.Burshtein