Journal of Chemical Physics, 2001, V 114, N 9, 1 March.

TE Studies on the behavior of mixed-metal oxides: Adsorption of CO
and NO on MgO(100), Ni{_x}Mg{_1-x}O(100) and Cr{_x}Mg{_1-x}O(100)
AU J.A.Rodriguez, T.Jirsak, M.Perez, L.Gonzalez, and A.Maiti

TE A new determination method of absolute adsorption isotherm of
supercritical gases under high pressure with a special relvance to DFT study
AU Katsuyuki Murata, Mustapha El-Merraoui, and Katsumi Kaneko

TE Physical aging and nanostructure of poly(methyl methacrylate):
Effect of methanol
AU S.Etienne, L.David, N.Surovtsev, and E.Duval

TE Dynamic displacement of N{_2} from Ru(0001) by incident D and H atoms
AU L.Diekhoner, H.Mortensen, C.Akerlund, A.Baurichter, and A.C.Luntz

TE Impulsive stimulated scattering of surface acoustic waves on
metal and semiconductor crystal surfaces
AU Liang Zhao, Bruce J.Baer, Masashi Yamaguchi, Ha Trong Than,
Jory Yarmoff, and Eric L.Chronister

TE The isotope effect and orientational potentials of methane
molecules in gas hydrates
AU Christian Gutt, Werner Press, Alfred Huller, John S.Tse,
and Helene Casalta

TE Molecular simulation of xenon adsorption on single-walled carbon
nanotubes
AU Vahan V.Simonyan, J.Karl Johnson, Anya Kuznetsova, and John T.Yates, Jr.

TE State-to-state scattering in a reactive systems: H{_2}(v=1,J=1)
from Cu(100)
AU Elizabeth Watts and Greg O.Sitz

TE Gel-gel adhesion by tethered polymers
AU Yanbin Huang, Igal Szleifer, and Nikolaos A.Peppas

TE Predicting free energy landscapes for complexes of
double-stranded chain molecules
AU Wenbing Zhang and Shi-Jie Chen

TE Spectral line shapes of single molecules beyond the sudden jump model
AU Taras Plakhotnik

TE Wetting transitions in symmetrical polymer blends
AU S.M.Engels and F.A.M.Leermakers

TE On the simulation of the entropy of macromolecules with
different flexibilities
AU Hagai Meirovitch

TE Heat capacity and turbidity near the critical point of
succinonitrile-water
AU A.W.Nawicki, Madhujit Ghosh, S.M.McClellan, and D.T.Jacobs

TE Excited-state reversible association-dissociation reaction:
Renormalized kinetic theory in configuration space
AU Kijeong Kwac, Mino Yang, and Kook Joe Shin

TE Vibrational relaxation of aqueous CS{_2}
AU C.L.Thomsen, J.Thogersen, and S.R.Keiding

TE Renormalization of the indirect correlation function to extract
the bridge function of simple fluids
AU J.M.Bomont and J.L.Bretonnet

TE Structure of the ambient temperature alkali metal molten salt AlCl{_3}/LiSCN
AU Yi-Chia Lee, David L.Price, Larry A.Curtiss, Mark A.Ratner,
and Duward F.Shriver

TE Dynamical semigroup Fokker-Planck equation approach to transient
absorption and fluorescence upconversion spectroscopies
AU Feng Shuang, Chen Yang, and YiJing Yan

TE Diffusion-influenced reversible geminate recombination in one
dimension. II. Effect of a constant field
AU Hyojoon Kim, Kook Joe Shin, and Noam Agmon

TE Accurate effective pair potentials for polymer solutions
AU P.G.Bolhuis, A.A.Louis, J.P.Hansen, and E.J.Meijer

TE Crystallization in block copolymer melts: Small soft-structures
that template larger hard-structures J. Patrick A. Fairclough, Shao-Min Mai,
AU Mark W.Matsen, Wim Bras, Loic Messe, Simon Turner,
Anthony Gleeson, Colin Booth Ian W.Hamley, and Anthony J.Ryan

TE Density-functional study of homogeneous bubble nucleation in the
stretched Lennard-Jones fluid
AU Vincent K.Shen and Pablo G.Debenedetti

TE Polymeric contributions to entropic surface forces
AU John D.McCoy, Melody A.Teixeira, and John G.Curro

TE Deterministic folding: The role of entropic forces and steric
specificities
AU Roosevelt A.da Silva, M.A.A.da Silva, and A.Caliri

TE A diffusion quantum Monte Carlo method based on floating
spherical Gaussian orbitals and Gaussian geminals: Dipole moment
of lithium hydride molecule
AU Shih-I Lu

TE Interaction energies of van der Waals and hydrogen bonded
systems calculated using density functional theory: Assessing
the PW91 model
AU Seiji Tsuzuki and Hans P.Luthi

TE The calculation of thermal rate constants for gas phase
reactions: A semi-classical flux-flux autocorrelation function
(SCFFAF) approach
AU Keith Runge, Marshall G.Cory, and Rodney J.Bartlett

TE Hydrogen bond radii for the hydrogen halides and van der Waals
radius of hydrogen
AU Pankaj K.Mandal and E.Arunan

TE The electronic structure of ZrCl
AU R.S.Ram, A.G.Adam, W.Sha, A.Tsouli, J.Lievin, and P.F.Bernath

TE Ab initio studies of {pi}-water tetramer complexes. Evolution of
optimal structures, binding energies and vibrational spectra of
{pi}-(H{_2}O){_n} (n=1-4) complexes
AU P.Tarakeshwar, Kwang S.Kim, S.Djafari, K.Buchhold, B.Reimann,
H.-D.Barth, and B.Brutschy

TE Resolution of molecular polarizabilities of CH{_3}-X and
CH{_3}-CH{_2}-X derivatives into atomic terms
AU M.E.Zitto, M.C.Caputo, M.B.Ferraro, and P.Lazzeretti

TE Dipole moments of adiabatic excited states using Fock space
multi-reference coupled-cluster analytic response approach
AU D.Ajitha and Sourav Pal

TE Electron scattering from gaseous SF{_6}: Comparing calculations
with experiments
AU F.A.Gianturco and R.R.Lucchese

TE The dispersion of the polarizability of C{_60}: A confirmation
of recent experimental results through theoretical calculations
AU Kenneth Ruud, Dan Jonsson, and Peter R.Taylor

TE Fragmentation of the valence states of CF{_2}Cl{_2}{^+},
CF{_2}H{_2}{^+} and CF{_2}Br{_2}{^+} studied by threshold
photoelectron - photoion coindence spectroscopy
AU D.P.Seccombe, R.P.Tuckett, and B.O.Fisher

TE Vacuum-UV absorption and fluorescence spectroscopy of
CF{_2}H{_2}, CF{_2}Cl{_2} and CF{_2}Br{_2} in the range 8-22 eV
AU D.P.Seccombe, R.Y.L.Chim, R.P.Tuckett, H.W.Jochims,
and H.Baumgartel

TE Efficient potential energy surfaces from partially filled ab
initio data over arbitrarily shaped regions
AU Timothy Hollebeek, Tak-San Ho, and Herschel Rabitz

TE Quadrupolar-driven recoupling of homonuclear dipolar
interactions in the NMR of rotating solids
AU Mattias Eden and Lucio Frydman

TE Microwave spectra of the Ar-ND{_3} van der Waals complex and its
partially protonated isotopomers
AU Jennifer van Wijngaarden and Wolfgang Jager