Journal of Chemical Physics, 2000, V 113, N 1, 1 July.


TE The ground state phase behavior of model Langmuir monolayers
AU S.B.Opps, B.G.Nickel, C.G.Gray, and D.E.Sullivan

TE Experimental determination of excitonic levels in
{alpha}-oligothiophenes
AU Faycal Kouki, Peter Spearman, Pierre Valat, Gilles Horowitz,
and Francis Garnier

TE Dielectric study of supercooled 2D-water in a vermiculite clay
AU R.Bergman, J.Swenson, L.Borjesson, and P.Jacobsson

TE Binary combination and overtone modes in the C-H stretch region
in ethoxy adsorbed on Cu(100): Experimental and calculated
vibrational spectra
AU R.Asmundsson, P.Uvdal, and A.D.MacKerell, Jr.

TE The dynamics in polyethyleneoxide-alkali iodide complexes
investigated by neutron spin-echo spectroscopy and MD simulations
AU B.Mos, P.Verkerk, S.Pouget, A.van Zon, G.-J.Bel, S.W.de Leeuw,
and C.D.Eisenbach

TE Dynamics of polarization relaxation in a dipolar mixture at a
solid-liquid interface
AU Sanjib Senapati and Amalendu Chandra

TE Energy barrier effect on transient nucleation kinetics:
Nucleation flux and lag-time calculation
AU Igor L.Maksimov, Masaaki Sanada, and Kazumi Nishioka

TE Molecular dynamics study of screening in ionic fluids 
AU P.Keblinski, J.Eggebrecht, D.Wolf, and S.R.Phillpot

TE Thermodynamics of electrolyte solutions in the modified mean
spherical approximation 
AU L.M.Varela, M.Perez-Rodriguez, M.Garcia, and V.Mosquera

TE Effect of polydispersity on the evolution of density
fluctuations to lamellar crystals in linear polyethylene
AU Yvonne A.Akpalu and Eric J.Amis

TE The chemical Langevin equation 
AU Daniel T.Gillespie

TE Lattice model of living polymerization. 3: Evidence for particle
clustering from phase separation properties and "rounding" of
the dynamical clustering transition
AU Jacek Dudowicz, Karl F.Freed, and Jack F.Douglas

TE Equation of state and critical behavior of polymer models: A
quantitative comparison between Wertheim's thermodynamic
perturbation theory and computer simulations
AU L.Gonzalez MacDowell, M.Mueller, C.Vega, and K.Binder

TE Ionic conduction and self diffusion near infinite dilution in
lithium salt-organic solvent electrolytes
AU Yuichi Aihara, Kyoko Sugimoto, William S.Price, and
Kikuko Hayamizu

TE Molecular dynamics study of benzene-benzene and benzene-potassium
ion interactions using polarizable potential models
AU Liem X.Dang

TE Theory and simulation of the swelling of polymer gels
AU N.R.Kenkare, C.K.Hall, and S.A.Khan

TE Rayleigh-Ritz calculation of the activation rate in the spatial
diffusion regime
AU Alexander N.Drozdov and Susan C.Tucker

TE Characteristics of instantaneous resonant modes in simple dense
fluids with short-ranged repulsive interactions
AU Ten-Ming Wu, Wen-Jong Ma, and S.L.Chang

TE An equilibrium supercooled liquid's entropy and enthalpy in the
Kauzmann and the third law extrapolations, and a proposed
experimental resolution
AU G.P.Johari

TE A two-step uncontracted determinantal effective
Hamiltonian-based SO-CI method
AU Valerie Vallet, Laurent Maron, Christian Teichteil, and
Jean-Pierre Flament

TE Purely theoretical electron-impact ionization cross sections of
silicon hydrides and silicon fluorides obtained from explicitly
correlated methods
AU N.O.J.Malcolm and Danny L.Yeager

TE Krylov-space algorithms for time-dependent Hartree
Fock and density functional computations
AU Vladimir Chernyak, Michael Schulz, Shaul Mukamel,
Sergei Tretiak, and Eugene V.Tsiper

TE Chlorine atom addition reaction to isoprene: A theoretical study
AU Wenfang Lei and Renyi Zhang

TE Explicitly correlated coupled cluster R12 calculations of the
dipole polarizability of He{_2}
AU Michal Jaszunski, Wim Klopper, and Jozef Noga

TE Theoretical study of XONO{_2} (X=Br, OBr, O{_2}Br): Implications
for stratospheric bromine chemistry
AU Srinivasan Parthiban and Timothy J.Lee

TE A wavepacket calculation of the effect of reactant rotation and
alignment onproduct branching in the O({^1}D)+HCl --> Cl0+H,
OH+Cl reactions
AU Martina Bittererova and Joel M.Bowman

TE Quantum defect theory of molecular photoabsorption process:
NO spectra in the energy region 9.3-22.0 eV
AU Zhi-Ping Zhong, Wei Hua Zhang, and Jia-Ming Li

TE Microwave studies of three alkylbenzenes. Ethyl, n-propyl and
n-butylbenzene
AU Belen Mate, Richard D.Suenram, and Catherine Lugez

TE S-T conversion induced by an external magnetic field in gaseous
oxalylfluoride excited to the 7{^1}5{^1}-level of the
A{^~1} A{_u} state
AU Vladimir I.Makarov, Sergei A.Kochubei, Valerii N.Ishchenko, and
Igor V.Khmelinskii

TE Efficient distributed Gaussian basis for rovibrational
spectroscopy calculations
AU Bill Poirier and J.C.Light

TE Dissociation rate of hot benzene
AU Shang-Ting Tsai, Chih-Kai Lin, Yuan T.Lee and Chi-Kung Ni

TE Erratum: Calculation of nuclear spin-spin couplings.
X. Analytical derivative method of perturbation energy
[J.Chem.Phys.112, 3532 (2000)]
AU H.Fukui, T.Baba, and Y.Kurogi

TE Rotational spectra and structures of three hydrogen-bonded
complexes between formic acid and water
AU Dominique Priem, Tae-Kyu Ha, and Alfred Bauder

TE Broadening, shifting and line asymmetries in the 2 <-- 0 band of
CO and CO-N{_2}: Experimental results and theoretical calculations
AU Adriana Predoi-Cross, J.P.Bouanich, D.Chris Benner, A.D.May,
and J.R.Drummond

TE Simple model potential and model wave functions for
(H-alkali){^+} and (alkali-alkali){^+} ions
AU S.H.Patil and K.T.Tang

TE A note on the use of the second order split-order operator method
AU Larry Eno

TE A time-dependent quantum mechanical investigation of dynamical
resonances in three dimensional HeH{^+}{_2} and HeHD{^+} systems
AU B.Maiti, S.Mahapatra, and N.Sathyamurthy

TE Photolysis of NO{_2} excited below the dissociative limit 
AU Vladimir I.Makarov, Igor V.Khmelinskii, Sergei A.Kochubei, and
Valerii N.Ishchenko

TE Photodissociation of HBr absorbed on the surface and embedded in
large Ar{_n} clusters
AU Reinhard Baumfalk, Nils Hendrik Nahler, Udo Buck, Masha Y.Niv,
and R.Benny Gerber

TE Observation and analysis of nonlinear vibrational relaxation of
large molecules in shock waves
AU John H.Kiefer, Leonid L.Buzyna, Amal Dib, and Sekhar Sundaram

TE Dipole moment surfaces and the mid- and far-IR spectra of N{_2}-Ar
AU Feng Wang, Frederick R.W.McCourt, and Robert J.Le Roy

TE Direct fifth-order electronically non-resonant Raman
scattering from CS{_2} at room temperature
AU David A.Blank, Laura J.Kaufman, and Graham R.Fleming

TE Perturbations in the V {^1}B{_2} state of CS{_2} and the
effects of an applied magnetic field
AU Shunji Kasahara, Nobuyuki Fujita, Yasuyuki Kimura, Hajime Kato,
Masaaki Baba, and Saburo Nagakura

TE Potential energy surface and infrared spectrum of the
Ar-H{_2}Cl{^+} ionic complex
AU Otto Dopfer, Doris Roth, and John P.Maier

TE Dynamics of methane trapped in C{_60} interstices
AU George H.Kwei, Frans Trouw, Bruno Morosin and Harry F.King

TE The vibrational spectra of molecular ions isolated in solid neon.
XVI. SO{_2}{^+}, SO{_2}{^-}, and (SO{_2}){_2}{^-}
AU Daniel Forney, C.Brian Kellogg, Warren E.Thompson, and
Marilyn E.Jacox

TE A joint theoretical-experimental investigation of
the lower bound states of the NO(X{^2}{PI})-Ar complex
AU Yangsoo Kim, J.Fleniken, Henning Meyer, Millard H.Alexander,
and Paul J.Dagdigian