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