Journal of Chemical Physics, 2000, V 113, N 14, 8 October.

TE A detailed study on the symmetry breaking and its effect on the
potential surface of NO_{3}
AU Wolfgang Eisfeld and Keiji Morokuma
PP 5587-5597

TE Linear scaling algorithm for the coordinate transformation
problem of molecular geometry optimization
AU Karoly Nemeth, Olivier Coulaud, Gerald Monard, and Janos G.Angyan
PP 5598-5603

TE Quantum mechanical/quantum mechanical methods. I. A divide and
conquer strategy for solving the Schroedinger equation for large
molecular systems using a composite density
functional-semiempirical Hamiltonian
AU Valentin Gogonea, Lance M.Westerhoff, and Kenneth M.Merz, Jr.
PP 5604-5613

TE Hydrodynamic approach to time-dependent density functional
theory; Response properties of metal clusters
AU Arup Banerjee and Manoj K.Harbola
PP 5614-5623

TE An investigation of adatom bonding at metals by the electron
localization function
AU N.Bonini, M.I.Trioni, and G.P.Brivio
PP 5624-5631

TE Diffusion coefficient for disordered systems with coupled
coherent and incoherent transport in one dimension
AU Wolfgang Pfluegl, Markus A.Palenberg, and Robert J.Silbey
PP 5632-5643

TE Renormalized CCSD(T) and CCSD(TQ) approaches: Dissociation of
the N_{2} triple bond
AU Karol Kowalski and Piotr Piecuch
PP 5644-5652

TE Parallel implementation of the CI-vector evaluation in full
CI/CAS-SCF
AU Michael Klene, Michael A.Robb, Michael J.Frisch, and Paolo Celani
PP 5653-5665

TE C-H...O H-bonded complexes: How does basis set superposition
error change their potential-energy surfaces?
AU P.Salvador, S.Simon, M.Duran, and J.J.Dannenberg
PP 5666-5674

TE On the contrast between the Lee-Low-Pines and the generalized
Fulton-Gouterman transformation
AU Matthias Rapp and Max Wagner
PP 5675-5685

TE Retrieving interaction potentials from the topology of the
electron density distribution: The case of hydrogen bonds
AU E.Espinosa and E.Molins
PP 5686-5694

TE Excited vibrational states and potential energy function for OCS
determined using generalized internal coordinates
AU Jose Zun~iga, Adolfo Bastida, Mercedes Alacid,
and Alberto Requena
PP 5695-5704

TE The reaction of BF_{3} with H_{2}O: Infrared spectrum of
BF_{2}OH trapped in solid neon
AU Marilyn E.Jacox, Karl K.Irikura, and Warren E.Thompson
PP 5705-5715

TE Determination of velocity distribution, angular distribution,
and vector correlation of photofragments using sub-Doppler
fluorescence-imaging method
AU Jia-lin Chang, Kuo-mei Chen, Wei-yu Lin, Kuo-huei Lee,
and Yit-Tsong Chen
PP 5716-5724

TE Rotational effects in the H_{2}+OH-->H+H_{2}O reaction rate:
Full-dimensional close-coupling results
AU Uwe Manthe and Frank Matzkies
PP 5725-5731

TE Absolute measurement of the optical polarizability of C_{60}
AU A.Ballard, K.Bonin, and J.Louderback
PP 5732-5735

TE Theoretical studies of the X~ ^{2}Pi and A~ ^{2}Sigma^{+} states
of the He-OH and Ne-OH complexes
AU Hee-Seung Lee, Anne B.McCoy, Rafal R.Toczylowski,
and Slawomir M.Cybulski
PP 5736-5749

TE An ab initio direct-trajectory study of the photodissociation of
ClOOCl
AU Alexey L.Kaledin and Keiji Morokuma
PP 5750-5762

TE Ab initio investigation of the diaza-dicarbon CCNN molecule
AU M.Hochlaf
PP 5763-5769

TE Oscillatory pump-probe signals from delocalized wave packets
AU V.A.Ermoshin, V.Engel, and C.Meier
PP 5770-5775

TE Experimental and theoretical study of line mixing in methane
spectra. IV. Influence of the temperature and of the band
AU D.Pieroni, Nguyen-Van-Thanh, C.Brodbeck, J.-M.Hartmann,
T.Gabard, J.-P.Champion, D.Bermejo, J.-L.Domenech, C.Claveau,
and A.Valentin
PP 5776-5783

TE Structure and stability of the N-hydroxyurea dimer:
Post-Hartree-Fock quantum mechanical study
AU Ali Jabalameli, Ramaiyer Venkatraman, Andrzej Nowek,
and Richard H.Sullivan
PP 5784-5790

TE A new method of calculation of Franck-Condon factors which
includes allowance for anharmonicity and the Duschinsky effect:
Simulation of the He I photoelectron spectrum of ClO_{2}
AU Daniel K.W.Mok, Edmond P.F.Lee, Foo-Tim Chau, DeChao Wang,
and John M.Dyke
PP 5791-5803

TE Laser mass-resolved spectroscopy and theoretical study of
methyl-p-aminobenzoate(H_{2}O)_{n} (n=2,3,4) complexes
AU Jose A.Fernandez, Asier Longarte, In~igo Unamuno,
and Fernando Castan~o
PP 5804-5811

TE Potential energy curves and dipole transition moments to the
ground state of the system Ar^{*}(3p^{5}4s, ^{3}P, ^{1}P)+Ne
AU Ioannis D.Petsalakis, Robert J.Buenker, Heinz-Peter Lieberman,
Aleksey B.Alekseyev, Alexander Z.Devdariani,
and Giannoula Theodorakopoulos
PP 5812-5816

TE Phase equilibria in the polydisperse Zwanzig model of hard rods
AU Nigel Clarke, Jose A.Cuesta, Richard Sear, Peter Sollich,
and Alessandro Speranza
PP 5817-5829

TE Shift of the absorption spectrum of organic dyes due to
saturation
AU A.Marcano O., N.Melikechi, and G.Verde
PP 5830-5835

TE Dynamics of capillary evaporation. I. Effect of morphology of
hydrophobic surfaces
AU Alenka Luzar and Kevin Leung
PP 5836-5844

TE Dynamics of capillary evaporation. II. Free energy barriers
AU Kevin Leung and Alenka Luzar
PP 5845-5852

TE Transition from simple to complex behavior of single molecule
line shapes in disordered condensed phase
AU E.Barkai, R.Silbey, and G.Zumofen
PP 5853-5867

TE The frequency-dependent depolarization ratio of the
low-frequency Raman scattering of two inorganic systems in their
glassy, supercooled, and molten states
AU S.N.Yannopoulos
PP 5868-5872

TE The theory of chemically induced dynamic electron polarization
for radical pair recombination in low dimensional space
AU A.I.Shushin and S.N.Batchelor
PP 5873-5878

TE Density functional theory analysis of the local chemical bonds
in the periodic tantalum dichalcogenides TaX_{2} (X=S, Se, Te)
AU M.-L.Doublet, S.Remy, and F.Lemoigno
PP 5879-5890

TE Inelastic light scattering in B_{2}O_{3} glasses with different
thermal histories
AU N.V.Surovtsev, J.Wiedersich, A.E.Batalov, V.N.Novikov,
M.A.Ramos, and E.Roessler
PP 5891-5900

TE Rotational energy relaxation of individual rotational states in
liquids
AU Joonkyung Jang and Richard M.Stratt
PP 5901-5916

TE Molecular dynamics investigation of thickness effect on liquid
films
AU Jian-Gang Weng, Seungho Park, Jennifer R.Lukes,
and Chang-Lin Tien
PP 5917-5923

TE Ab initio determination of the melting point of aluminum by
thermodynamic integration
AU Ben J.Jesson and Paul A.Madden
PP 5924-5934

TE Structure and dynamics at the aluminum solid-liquid interface:
An ab initio simulation
AU Ben J.Jesson and Paul A.Madden
PP 5935-5946

TE The role of micro- and nanomorphology of rough silver surfaces
of different nature in surface enhanced Raman scattering effect:
A combined study of scanning force microscopy and low-frequency
Raman modes
AU Bruno Pignataro, Angela De Bonis, Giuseppe Compagnini,
Paola Sassi, and Rosario Sergio Cataliotti
PP 5947-5953

TE Critical behavior of lattice polymers studied by Monte Carlo
simulations
AU Qiliang Yan and Juan J.de Pablo
PP 5954-5957

TE Unrestricted Hartree-Fock band structure calculations for
polymers: Application to a cross-talk system
AU Tina D.Poulsen, Kurt V.Mikkelsen, Joseph G.Fripiat,
and Benoit Champagne
PP 5958-5964

TE Discotic amphiphiles
AU J.R.Henderson
PP 5965-5970

TE Do thermotropic biaxial nematics exist? A Monte Carlo study of
biaxial Gay-Berne particles
AU R.Berardi and C.Zannoni
PP 5971-5979

TE Salt-induced volume phase transition of
poly(N-isopropylacrylamide) gel
AU Masahiko Annaka, Keiko Motokawa, Shigeo Sasaki,
Takayuki Nakahira, Hideya Kawasaki, Hiroshi Maeda, Yuko Amo,
and Yasunori Tominaga
PP 5980-5985

TE A density functional theory study of vibrational coupling
between ribose and base rings of nucleic acids with ribosyl
guanosine as a model system
AU Alexander Pelmenschikov, Dmytro M.Hovorun, Oleg V.Shishkin,
and Jerzy Leszczynski
PP 5986-5990

TE Fourier transform infrared study of the pressure and laser
induced polymerization of solid acetylene
AU Matteo Ceppatelli, Mario Santoro, Roberto Bini,
and Vincenzo Schettino
PP 5991-6000

TE Effect of electrostatic interactions on the dynamics of
semiflexible monodisperse DNA fragments
AU Hui Liu, Jacek Gapinski, Lidia Skibinska, Adam Patkowski,
and R.Pecora
PP 6001-6010

LETTERS TO THE EDITOR


TE Erratum: "Two-parameter stochastic resonance in the absence of
external signal for the photosensitive Belousov-Zhabotinsky
reaction" [J. Chem. Phys., v.111, 9720 (1999)]
AU Shi Zhong, Yongjun Jiang, and Houwen Xin
PP 6011