Journal of Chemical Physics, 1999, V 110, N 13, 1 Apr.
TE Forward-backward initial value representation for semiclassical
time correlation functions
AU Xiong Sun and William H.Miller
TE Experimental determination of the reaction time for hydrogen
isotope exchange H{_2} + D{_2} --> 2HD on Ni(110)
AU Massimo F.Bertino and J.Peter Toennies
TE Lifetimes of the CO metastable a{^3}{pi} ({upsilon} < 3,
{OMEGA}, J) levels
AU Thomas Sykora and C.R.Vidal
TE Fully coupled six-dimensional calculations of the water dimer
vibration-rotation-tunneling states with split Wigner
pseudospectral approach. II. Improvements and tests of
additional potentials
AU R.S.Fellers, L.B.Braly, R.J.Saykally, and C.Leforestier
TE Femtosecond laser interactions with methyl iodide clusters. I.
Coulomb explosion at 795 nm
AU J.V.Ford, Q.Zhong, L.Poth, and A.W.Castleman, Jr.
TE Fitting classical microcanonical unimolecular rate constants to
a modified RRK expression. Anharmonic and variational effects
AU Kihyung Song and William L.Hase
TE Erratum: On nonadiabatic molecular dynamics simulations of the
photofragmentation and geminate recombination dynamics in
size-selected I{_2}{^-}. Ar{_n} cluster ions [J. Chem. Phys.
106, 7102 (1997)]
AU V.S.Batista and D.F.Coker
TE Longitudinal dielectric properties of molecular liquids:
Molecular dynamics simulation studies of CH{_3}CN, C{_6}H{_6},
and CO{_2}
AU Baw-Ching Perng and Branka M.Ladanyi
TE Photodetachment studies of extended excited states in
I{^-}Xe{_n} clusters (n=1-54)
AU Israela Becker and Ori Cheshnovsky
TE Spectroscopy, resolution and ab-initio calculation of vibronic
fine structure in the optical absorption of Rh(III) doped in NaCl
AU Carl Ribbing, Ben Gilliams, Arnout Ceulemans, Kristine Pierloot,
Dirk Vandenbroucke, and Bjorn O.Roos
TE The inner valence photoionization of acetylene
AU M.Wells and Robert R.Lucchese
TE Resonant two-color photoionization threshold measurements of the
Zn{^+}(4s){.}Ar bond strength: Model-potential analysis of
M{^+}(ns){.}Ar interactions
AU Allen W.K.Leung, D.Bellert, Ryan R.Julian, and W.H.Breckenridge
TE Determination of highly excited rovibrational states for N{_2}O
using generalized internal coordinates
AU Jose Zuniga, Mercedes Alacid, Adolfo Bastida,
Francisco J.Carvajal, and Alberto Requena
TE Car-Parrinello molecular dynamics on excited state surfaces
AU Eric R.Bittner and D.S.Kosov
TE Crossed beam reaction of atomic carbon, C({^3}P{_j}), with
d{_6}-benzene, C{_6}D{_^}(X{^1}A{_1g}): Observation of the
per-deu-tero-1,2-didehydrocycloheptatrienyl radical, C{_7}D{_5}
(X{^2}B{_2})
AU R.I.Kaiser, I.Hahndorf, L.C.L.Huang, Y.T.Lee, H.F.Bettinger,
P.v.R.Schleyer, H.F.Schaefer III, and P.Schreiner
TE Unraveling the mysteries of metastable O{_4}
AU Darcy S.Peterka, Musahid Ahmed, Arthur G.Suits,
Kenneth J.Wilson, Anatoli Korkin, Marcel Nooijen,
and Rodney J.Bartlett
TE On the photoelectron spectrum of the NO dimer, and the ground
state of (NO){_2}{^+}
AU Allan L.L.East and James K.G.Watson
TE Development of an intermolecular potential function for
interactions in formamide clusters based on ab initio
calculations
AU Enrique M.Cabaleiro-Lago and Miguel A.Rios
TE On the origin and contribution of the diamagnetic term in
4-component relativistic calculations of magnetic properties
AU G.A.Aucar, T.Saue, L.Visscher, and H.J.Aa.Jensen
TE Hydrogen bonding and cooperatire effects in mixed dimers and
trimers of methanol and tri-fluoromethanol. An ab initio study
AU Ruben D.Parra and X.C.Zeng
TE Density functional, single and multi-reference perturbation
theory study of the reaction {^3}{SIGMA}{_g} O{_2} +
HOCH{_2}CH{_2}{.}--> HOO{.} + HOCH =CH{_2}, modelling an
important step in tropospheric benzene oxidation
AU Giovanni Ghigo and Glauco Tonachini
TE Evaluation of gradient corrections in grid-free density
functional theory
AU Kurt R.Glaesemann and Mark S.Gordon
TE Towards the ab initio determination of strictly diabatic states,
study for (NaRb){^+}
AU T.Romero, A.Aguilar, and F.X.Gadea
TE On the question of empirical corrections in ab initio model
chemistries
AU G.N.Merrill and M.S.Gordon
TE The double-funnel energy landscape of the 38-atom Lennard-Jones
cluster
AU Jonathan P.K.Doye, Mark A.Miller, and David J.Wales
TE A molecular theory of the homogeneous nucleation rate. I:
Formulation and fundamental issues
AU B.Senger, P.Schaaf, D.S.Corti, R.Bowles, J.-C.Voegel, and H.Reiss
TE A molecular theory of the homogeneous nucleation rate. II:
Application to argon vapor
AU B.Senger, P.Schaaf, D.S.Corti, R.Bowles, D.Pointu, J.-C.Voegel,
and H.Reiss
TE Upper and lower bounds for the kinetics of hard-particle
adsorption
AU Douglas Poland
TE On the calculation of reaction rate constants in the transition
path ensemble
AU Christoph Dellago, Peter G.Bolhuis, and David Chandler
TE Binary nucleation kinetics. IV. Directional properties and
cluster concentrations at the saddle point
AU Gerald Wilemski
TE Cooperative diffusion in colloidal mixtures
AU G.Naegele, J.Bergenholtz, and J.K.G.Dhont
TE Analysis of the mechanical behavior of poly(trimethylene
terephthalate) in an amorphous state under uniaxial
extension/compression condition through atomistic modeling
AU Seung Soon Jang and Won Ho Jo
TE Nuclear magnetic shielding of noble gases in liquid crystals
AU Mika Ylihautala, Juhani Lounila, and Jukka Jokisaari
TE Determination of hydrodynamic properties in highly charged
colloidal systems using static and dynamic light scattering
AU W.Haertl, Ch.Beck, and R.Hempelmann
TE Evidence for phase separation during the crystallization of
hyperquenched glassy clathrate hydrate forming solutions
AU C.A.Tulk, Y.Ba, D.D.Klug, G.McLaurin, and J.A.Ripmeester
TE Nuclear magnetic resonance proton dipolar order relaxation in
the selectively deuterated nematic para-azoxyanizole
AU O.Mensio, R.C.Zamar, D.J.Pusiol, and S.Becker
TE Path-integral diffusion Monte Carlo: Calculation of observables
of many-body systems in the ground state
AU Balazs Hetenyi, ERan Rabani, and B.J.Berne
TE Self-consistent-field modelling of complex molecules with united
atom detail in inhomogeneous systems. Cyclic and branched
foreign molecules in dimyristoylphosphatidylcholine membranes
AU L.A.Meijer, F.A.M.Leermakers, and J.Lyklema
TE Transient dielectric and birefringence relaxation of a system of
rigid polar particles in strong dc electric fields
AU Yu.P.Kalmykov and J.L.Dejardin
TE Atomic glasses rearrangement processes
AU Eunji Sim, Alexander Z.Patashinski, and Mark A.Ratner
TE Wetting by polymers of a liquid-liquid interface. Effects of
short-range interactions and of chain stiffness
AU Marcel C.P.van Eijk and Frans A.M.Leermakers