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