Journal of Chemical Physics, 2000, V 113, N 11, 15 September.

TE Water ordering around methane during hydrate formation
AU Carolyn A.Koh, Robert P.Wisbey, Xiaoping Wu, Robin E.Westacott,
and Alan K.Soper

TE Validating a polarizable model for the glass-forming liquid
Ca{_0.4}K{_0.6}(NO{_3}){_1.4} by ab initio calulations
AU Mauro C.C.Ribeiro and Luiz C.J.Almeida

TE Pseudo-solid NMR approach to poly(ethylene-oxide) chain dynamics
in the melt
AU Armel Guillermo, Jean-Pierre Cohen Addad, and D.Bytchenkoff

TE The best structural data of liquid ammonia based on the pair
approximation: Firstprinciples Monte Carlo simulation
AU Supot Hannongbua

TE X-ray scattering study and molecular simulation of glass forming
liquids: Propylene carbonate and salol
AU E.Eckstein, J.Qian, R.Hentschke, T.Thurn-Albrecht, W.Steffen,
and E.W.Fischer

TE Hosted particle positions and dipole moments of protein-filled
reverse micelles
AU Peilong Chen, Heng-Kwong Tsao, and C.-Y.David Lu

TE Transition from simple to complex behavior of single molecule
line shapes in disordered condensed phase
AU E.Barkai, R.Silbey, and G.Zumofen

TE Glass transition in chlorobenzene-decalin under pressure
AU J.Koeplinger, G.Kasper, and S.Hunklinger

TE Interfaces, wetting, and capillary nematization of a hard-rod
fluid: Theory for the Zwanzig model
AU Rene van Roij, Marjolein Dijkstra, and Robert Evans

TE Temperature dependence of hydrophobic interactions: A mean force
perspective, effects of water density, and non-additivity of
thermodynamic signatures
AU Seishi Shimizu and Hue Sun Chan

TE Effective interactions, structure and isothermal compressibility
of colloidal suspensions
AU Marjolein Dijkstra, Rene van Roij and Robert Evans

TE Correspondence of potentials of mean force in proteins and in
liquids
AU Yibing Shan and Huan-Xiang Zhou

TE Molecular dynamics of a dense fluid of polydisperse hard spheres
AU Richard P.Sear

TE Variance reduced Brownian simulation of a beadspring chain under
steady shear flow considering hydrodynamic interaction effects
AU M.Kroeger, A.Alba-Perez, M.Laso, and H.C.Ottinger

TE A molecular based derivation of the nucleation theorem
AU R.K.Bowles, R.McGraw, P.Schaaf, B.Senger, J.-C.Voegel,
and H.Reiss

TE Correlating the NMR self-diffusion and relaxation measurements
with ionic conductivity in polymer electrolytes composed of
cross-linked poly(ethylene oxide-propylene oxide) doped with
LiN(SO{_2}CF{_3}){_2}
AU Kikuko Hayamizu, Yuichi Aihara, and William S.Price

TE FTIR study of the pressure and laser induced polymerization of
solid acetylene
AU Matteo Ceppatelli, Mario Santoro, Roberto Bini,
and Vincenzo Schettino

TE Ultrafast Raman-induced Kerr-effect of water: Single molecule
versus collective motions
AU Kathrin Winkler, Joerg Lindner, Helge Buersing,
and Peter Voehringer

TE Microscopic structure of Cl{^-} co-ordination shell in NiCl{_2}
methanol solution: A neutron diffraction study
AU Ashok K.Adya and Oleg N.Kalugin

TE The solvation of Na{^+} in water: First principles simulations
AU Jody A.White, Eric Schwegler, Giulia Galli, and Francois Gygi

TE Ligand binding distributions in biopolymers
AU Douglas Poland

TE Multidimensional reactive rate calculations in dissipative
chaotic systems
AU E.Hershkovitz and L.Wiesenfeld

TE Association behavior of binary polymer mixtures under
elongational flow
AU Elena E.Dormidontova and Gerrit ten Brinke

TE Electronic states of the copper, silver, and gold silicides and
their ions
AU Przemyslaw Turski and Maria Barysz

TE Structure and vibrational spectra of H{^+}(H{_2}O){_8}: Is the
excess proton in a symmetrical hydrogen-bond?
AU Cristian V.Ciobanu, Lars Ojamae, Isaiah Shavitt,
and Sherwin J.Singer

TE Toward the limits of predictive electronic structure theory?
Connected quadruple excitations for large basis set calculations.
AU Stanislaw A.Kucharski, Maciej Kolaski, and Rodney J.Bartlett

TE Structure and stability of the hydroxyurea dimer.
Post-Hartree-Fock quantum mechanical study
AU Ali Jabalameli, Ramaiyer Venkatraman, Andrzej Nowek,
and Richard H.Sullivan

TE On the classical limit for electronic structure and dynamics in
the orbital approximation
AU F.Remacle and R.D.Levine

TE Anharmonic treatment of the lowest-energy conformers of glycine:
A theoretical study
AU Ota Bludsky, Jana Chocholousova, Jaroslav Vacek,
Friedrich Huisken, and Pavel Hobza

TE An accurate global ab initio potential energy surface for the
X{^1}A' electronic state of HOBr
AU Kirk A.Peterson

TE Brueckner based generalized coupled cluster theory: Implicit
inclusion of higher excitation effects
AU Marcel Nooijen and Victor Lotrich

TE Theoretical simulations of the He{^79}Br{_2} B,{nu} = 8 <-- X,
{nu}" =O excitation spectrum: Spectroscopic manifestation of a
linear isomer?
AU Marta I.Hernandez, Tomas Gonzalez-Lezana, Gerardo Delgado-Barro,
Pablo Villarreal, and Alexei A.Buchachenko

TE Charge transfer between ND{_3}{^+}({nu}{_2}{^+}) and phenol
AU Ho-Tae Kim, Richard J.Green, and Scott L.Anderson

TE The direct production of CO(v=1-9) in the reaction of O({^3}P)
with ethyl radical
AU Jonathan P.Reid, Timothy P.Marcy, Seppe Kuehn,
and Stephen R.Leone

TE An approximate short time Laplace transform inversion method
AU Lev Plimak and Eli Pollak

TE The structure of deuterated methane hydrate
AU C.Gutt, B.Asmussen, W.Press, M.R.Johnson Y.P.Handa, and J.S.Tse

TE Quaternion formulation of diffusion quantum Monte Carlo for the
rotation of rigid molecules in clusters
AU David M.Benoit and David C.Clary

TE Temperature effect on the deactivation of electronically excited
potassium by hydrogen molecule
AU Yen-Chin Hsiao, Dean-Kuo Liu, Hok-Sum Fung and King-Chuen Lin

TE Fast simulation of dynamic two dimensional NMR spectra for
systems with many spins or exchange sites
AU Randall S.Dumont and Rosa Assalone

TE Renner-Teller induced photodissociation of HCO in the first
absorption band: Determination of linewidths for the {^~{^2}A"
K-0,1 states by filter-diagonalization
AU Jan Weiss and Reinhard Schinke

TE The state-to-state predissociation dynamics of OC-HF upon HF
stretch excitation
AU L.Oudejans and R.E.Miller

TE Finite size effects and rotational relaxation in superfluid
helium nanodroplets: Microwaveinfrared double-resonance
spectroscopy of cyanoacetylene
AU C.Callegari, I.Reinhard, K.K.Lehmann, G.Scoles, K.Nauta,
and R.E.Miller