Journal of Chemical Physics, 2000, V 113, N 7, 15 August.


TE Transition between two next-nearest-neighbor phases in a mixed
Langmuir monolayer. A study by grazing-incidence X-ray
diffraction and Brewster-angle microscopy
AU Ellis Teer, Charles M.Knobler, Alan Branslau, Jean Daillant,
Christian Blot, Daniel Luzet, Michel Goldmann,
and Phillipe Fontiane

TE Kinetics, mechanism, and dynamics of gas-phase H(D) atom
abstraction of adsorbed D(H) atom on Pt(111)
AU Jihwa Lee and Jae-Young Kim

TE An electron energy loss spectroscopy study of resonance
population in C{_2}H{_4} (C{_2}D{_4}) chemisorbed on Pd(110)
AU Hiroshi Okuyama, Hiroyuki Kato, Maki Kawai, and Jun Yoshinobu

TE Nonlinear dependence of Maxwell displacement current across
chiral phospholipid mixed monolayers on molar ratio
AU Mitsumasa Iwamoto, Chen-Xu Wu, and Wei Zhao

TE Quasi-elastic neutron scattering of 2D-water in a vermiculite
clay
AU J.Swenson, R.Bergman, and W.S.Howells

TE Reaction kinetics in zeolites as a random walk problem: Theory
versus experiment
AU A.V.Barzykin and S.Hashimoto

TE Analysis of equation of state for supercooled liquid
AU Marian Paluch, Stella Hensel-Bielowka, and Tatjana Psurek

TE Reactions in microemulsions: Effect of thermal fluctuations on
reaction kinetics
AU Venkat Ganesan and Glenn H.Fredrickson

TE Development of reference states for use in absolute free energy
calculations of atomic clusters with application to LJ{_55}
AU L.M.Amon and W.P.Reinhardt

TE Dielectric properties of liquid ethanol. A computer simulation
study
AU Leonor Saiz, Elvira Guardia, and Joan-Angel Padro

TE Hydrodynamic interactions in long chain polymers: Application of
the Chebyshev polynomial approximation in stochastic simulations
AU Richard M.Jendrejack, Michael D.Graham, and Juan J.de Pablo

TE Entropy, correlations and ordering in two dimensions
AU F.Saija, S.Prestipino, and P.V.Giaquinta

TE Osmotic second virial cross coefficients for star and linear
polystyrenes
AU Alberto Striolo and John M.Prausnitz

TE Local and global dynamics of atactic polypropylene melts by
multiple field {^13}C NMR
AU XiaoHua Qiu, N.E.Moe, M.D.Ediger, and Lewis J.Fetters

TE Hydration free energy of hydrophobic solutes studied by a
reference interaction site model with a repulsive bridge
correction and a thermodynamic perturbation method
AU Andriy Kovalenko and Fumio Hirata

TE Third-order nonlinear optical response and energy transfer in
static disordered systems
AU Mino Yang and Graham R.Fleming

TE Microcanonical temperature and its Arrhenius relation to
lifetimes in isomerization dynamics of clusters
AU Kazuo Takatsuka and Tomohiro Yanao

TE Coil size oscillatory packing in polymer solutions near a surface
AU J.van der Gucht, N.A.M.Besseling, J.van Male,
and M.A.Cohen Stuart

TE Exploring the ab initio/classical free energy perturbation
method: The hydration free energy of water
AU Shinichi Sakane, Eric M.Yezdimer, Wenbin Liu,
Jose A.Barriocanal, Douglas J.Doren, and Robert H.Wood

TE Dimerization and solvation equilibria: the direct correlation
function
AU Elena Mileva and Glenn T.Evans

TE Densification effects on the Boson peak in vitreous silica: A
molecular-dynamics study
AU P.Jund and R.Jullien

TE Forces between like-charged walls in electrolyte solution: A
comparison of McMillan-Mayer results for several models
AU Frank Otto and G.N.Patey

TE Vibrational energy relaxation of azulene in the S{_2} state. I.
Solvent species dependence
AU T.Yamaguchi, Y.Kimura, and N.Hirota

TE On the temperature, equipartition, degrees of freedom, and
finite size effects. Application to aluminum clusters
AU J.Jellinek and A.Goldberg

TE The electronic structure and chemical bonding of aluminum
acetylide: Al{_2}C{_2} and Al{_2}C{_2}{^-}. An experimental and
theoretical investigation
AU Nathan A.Cannon, Alexander I.Boldyrev, Xi Li, and Lai-Sheng Wang

TE The RESC Hamiltonian: Analysis of approximations
AU Maria Barysz

TE The mapping of the local contributions of Fermi and Coulomb
correlation into intracule and extracule density distributions
AU Xavier Fradera, Miquel Duran, and Jordi Mestres

TE Small-core MCDHF-adjusted pseudopotentials for post-d main group
elements. Application to PbH and PbO
AU Bernhard Metz, Hermann Stoll, and Michael Dolg

TE NMR spin-spin coupling constants from coupled perturbed density
functional theory
AU Vladimir Sychrovsky, Jurgen Grafenstein, and Dieter Cremer

TE On the condensed Fukui function
AU P.Fuentealba, P.Perez, and R.Contreras

TE Quantum Monte Carlo determination of the atomization energy and
heat of formation of propargyl radical
AU J.A.W.Harkles and W.A Lester, Jr.

TE Total energy density as an interpretative tool
AU Morrel H.Cohen, Derek Frydel, Kieron Burke, and Eberhard Engel

TE Interpretation and deperturbation of the {LAMBDA}-type doubling
in the a{^3}{PI} state of GaH
AU Mouna Sbata and Joel Schamps

TE Reply to the Comment on: A potential dependent polarizability?
[J. Chem. Phys. 96, 5289 (1992)]
AU J.Shanker and S.S.Kushwah

TE Comment on: A potential dependent polarisability? [J. Chem.
Phys. 96, 5289 (1992)]
AU Kelling J.Donald, Willem H.Mulder, and Laszlo V.Szentpaly

TE Multi-isotope study of fractionation effects in the ozone
formation process
AU S.Wolf, M.Bitter, D.Krankowsky, and K.Mauersberger

TE Flexible transition state theory for a variable reaction
coordinate: Derivation of canonical and microcanonical forms
AU Struan Robertson, Albert F.Wagner, and David M.Wardlaw

TE Sub-femtosecond dynamics and dissociation of C-H bonds in the
condensed phase: Effects of entangled protonic states
AU C.A.Chatzidimitriou-Dreismann, T.Adul-Redah, and J.Sperling

TE Pseudorotation in tetrahydrofuran{^...}HF heterodimer
AU J.L.Alonso, J.C.Lopez, S.Blanco, A.Lesarri, and F.J.Lorenzo

TE Direct-dynamics approach to catalytic effects: The
tautomerization of 3-hydroxyisoquinoline as a test case
AU Antonio Fernandez-Ramos, Zorka Smedarchina, and Marek Z.Zgierski

TE Self-adaptive quadrature and numerical path integration
AU Dubravko Sabo, J.D.Doll, and David L.Freeman