The Journal of Chemical Physics, 2000, V 113, N 18, 8 November.

TE Pinning of size-selected Ag clusters on graphite surfaces
AU S.J.Carroll, S.Pratontep, M.Streun, R.E.Palmer, S.Hobday,and R.Smith
PP 7723-7727

TE Crossed-beam velocity map imaging of collisional autoionization
AU Ralph F.Delmdahl, Bernard L.G.Bakker, and David H.Parker
PP 7728-7730

TE A new complete basis set model (CBS-QB3) study on the possible
intermediates in chemiluminescence
AU Yong Zhang, Xi-Rui Zeng, and Xiao-Zeng You
PP 7731-7734


TE Two interacting electrons in a box: An exact diagonalization study AU Ali Alavi PP 7735-7745 TE Two-dimensional vibrational spectroscopy. VII. Investigation of the vibronic and vibrational couplings by using novel triply resonant two-dimensional vibrational spectroscopies AU Minhaeng Cho PP 7746-7755 TE From molecules to solids with the DMol^{3} approach AU B.Delley PP 7756-7764 TE Triplet excitation energies in the coupled cluster singles and doubles model using an explicit triplet spin coupled excitation space AU Kasper Hald, Christof Haettig, and Poul Jorgensen PP 7765-7772 TE On the performance of diagrammatic complete active space perturbation theory AU Yoong-Kee Choe, James P.Finley, Haruyuki Nakano, and Kimihiko Hirao PP 7773-7778 TE An efficient finite field approach for calculating static electric polarizabilities of periodic systems AU Konstantin N.Kudin and Gustavo E.Scuseria PP 7779-7785 TE The higher-order Douglas-Kroll transformation AU Takahito Nakajima and Kimihiko Hirao PP 7786-7789 TE Ab initio calculations of molecular resonant photoemission spectra AU V.Carravetta, H.Agren, O.Vahtras, and H.J.Aa.Jensen PP 7790-7798 TE Approximating the basis set dependence of coupled cluster calculations: Evaluation of perturbation theory approximations for stable molecules AU Thom H.Dunning, Jr.and Kirk A.Peterson PP 7799-7808 TE Absolute entropies from molecular dynamics simulation trajectories AU Heiko Schaefer, Alan E.Mark, and Wilfred F.van Gunsteren PP 7809-7817 TE Rigorous algorithm for the electron repulsion integral over the generally contracted solid harmonic Gaussian-type orbitals AU Kazuhiro Ishida PP 7818-7829 TE Rotational coherence spectroscopy of para-cyclohexylaniline by stimulated Raman-induced fluorescence depletion and stimulated emission pumping AU Andreas Weichert, Christoph Riehn, and Bernhard Brutschy PP 7830-7837 TE Off-resonant vibrational excitation: Orientational dependence and spatial control of photofragments AU Mette Machholm and Niels E.Henriksen PP 7838-7844 TE Theoretical approach to photochromism of aromatic Schiff bases: A minimal chromophore salicylidene methylamine AU Marek Z.Zgierski and Anna Grabowska PP 7845-7852 TE Electronic excitation spectra of furan and pyrrole: Revisited by the symmetry adapted cluster-configuration interaction method AU Jian Wan, Jaroslaw Meller, Masahiko Hada, Masahiro Ehara, and Hiroshi Nakatsuji PP 7853-7866 TE A theoretical study of the CuO_{3} species AU Ke Deng, Jinlong Yang, and Qingshi Zhu PP 7867-7873 TE Prediction of a weakly bound excited state in the ^{4}He_{2}-^{7}Li molecule AU A.Delfino, T.Frederico, and Lauro Tomio PP 7874-7878 TE Double-contact ion-molecule binding: Infrared characterization of the ionic H bonds to formic acid in the I^{-}-HCOOH complex AU William H.Robertson, Jude A.Kelley, and Mark A.Johnson PP 7879-7884 TE The vibrational energy pattern in acetylene (VI): Inter- and intrapolyad structures AU B.I.Zhilinskii, M.I.El Idrissi, and M.Herman PP 7885-7890 TE Microwave spectra, density functional theory calculations and molecular structure of acetylenemethyldioxorhenium AU S.G.Kukolich, B.J.Drouin, O.Indris, J.J.Dannemiller, J.P.Zoller, and W.A.Herrmann PP 7891-7900 TE Predictions of rotation-vibration effects in time-resolved photoelectron angular distributions AU Stuart C.Althorpe and Tamar Seideman PP 7901-7910 TE On the initial steps in the decomposition of energetic materials from excited electronic states AU H.-S.Im and E.R.Bernstein PP 7911-7918 TE Theoretical study of the electronic states of platinum trimer (Pt_{3}) AU D.Majumdar, Dingguo Dai, and K.Balasubramanian PP 7919-7927 TE Theoretical study of electronic states of platinum pentamer (Pt_{5}) AU D.Majumdar, Dingguo Dai, and K.Balasubramanian PP 7928-7938 TE Measurement of the hyperfine structure in low-l, high-n Rydberg states of ortho H_{2} by millimeter wave spectroscopy AU A.Osterwalder, R.Seiler, and F.Merkt PP 7939-7944 TE Ultraviolet/infrared-double resonance spectroscopy and ab initio calculations on the indole^{+} and indole(H_{2}O)_{1}^{+} cations AU C.Unterberg, A.Jansen, and M.Gerhards PP 7945-7954 TE Direct determination of molecular constants from rovibronic spectra with genetic algorithms AU J.A.Hageman, R.Wehrens, Gelder, W.Leo Meerts,and L.M.C.Buydens PP 7955-7962 TE High level ab initio studies on the excited states of HOCO radical AU Yumin Li and Joseph S.Francisco PP 7963-7970 TE Explicit core-hole localization and relaxation effects in the calculation of inner-shell spectrum of C_{2}H_{4} AU Alexandre B.Rocha and Carlos E.Bielschowsky PP 7971-7975 TE High level ab initio molecular orbital theory study of the structure, vibrational spectrum, stability, and low-lying excited states of HOONO AU Yumin Li and Joseph S.Francisco PP 7976-7981 TE Probing the new bond in the vibrationally controlled bimolecular reaction of O with HOD(4nu_{OH}) AU Joann M.Pfeiffer, Ephraim Woods III, Ricardo B.Metz, and F.Fleming Crim PP 7982-7987 TE Pulsed field ionization-photoelectron bands for CO_{2}^{+}(A ^{2}Pi_{u} and B ^{2}Sigma_{u}^{+}) in the energy range of 17.2-19.0 eV: An experimental and theoretical study AU Jianbo Liu, M.Hochlaf, and C.Y.Ng PP 7988-7999 TE Vibrationally autoionizing Rydberg clusters: Spectroscopy and dynamics of pyrazine-Ar and -Xe clusters AU Asuka Fujii, Yutaka Kitamura, and Naohiko Mikami PP 8000-8008 TE Coupled-cluster calculations on ferrocene and its protonated derivatives: Towards the final word on the mechanism of protonation of ferrocene? AU Maria J.Mayor-Lopez, Hans P.Luethi, Henrik Koch, Pierre Y.Morgantini, and Jacques Weber PP 8009-8014 TE Relativistic and correlated all-electron calculations on the ground and excited states of AgH and AuH AU Henryk A.Witek, Takahito Nakijima, and Kimihiko Hirao PP 8015-8025 TE Reaction cross section for incorporation of ND_{3} into NH_{4}^{+}(NH_{3})_{n-1} (n=3-9) at very low energy collision AU Takaaki Orii, Yoshiki Okada, Kazuo Takeuchi, Masahiko Ichihashi, and Tamotsu Kondow PP 8026-8035 TE The local structure in liquid methylamine and methylamine-water mixtures AU Peter G.Kusalik, Dan Bergman, and Aatto Laaksonen PP 8036-8046 TE Symmetry breaking and spectra of diphenyloctatetraene in n-alkanes AU Daniel Walser, Gert Zumofen, and Taras Plakhotnik PP 8047-8058 TE Methanol-pyridine complexes trapped in argon and nitrogen matrices: Infrared induced isomerization and theoretical calculations AU S.Coussan, V.Brenner, J.P.Perchard, and W.Q.Zheng PP 8059-8069 TE A study of the condensed phases and solid-solid phase transition in toluene: A Monte Carlo investigation AU A.V.Anil Kumar, S.Yashonath, and S.L.Chaplot PP 8070-8079 TE Thermal conductivity of molecular fluids from molecular dynamics simulations: Application of a new imposed-flux method AU Dmitry Bedrov and Grant D.Smith PP 8080-8084 TE Stable stratification alteration in a thermal diffusion cloud chamber AU N.Schaeffer, F.Utheza, F.Garnier, and G.Lauriat PP 8085-8092 TE H_{3}O^{+}/Cl^{-} ion-pair formation in high-temperature aqueous solutions AU A.A.Chialvo, P.T.Cummings, and J.M.Simonson PP 8093-8100 TE A theoretical study of the electronic spectrum of water AU Ove Christiansen, Thomas M.Nymand, and Kurt V.Mikkelsen PP 8101-8112 TE Chirped pulse excitation in condensed phases involving intramolecular modes studied by double-sided Feynman diagrams for fast optical dephasing AU B.D.Fainberg and V.Narbaev PP 8113-8124 TE Computer simulation studies of aqueous sodium chloride solutions at 298 K and 683 K AU S.Koneshan and Jayendran C.Rasaiah PP 8125-8137 TE Phase transitions of deuterated CO(NH_{2})_{2} under pressure AU D.Gora and K.Parlinski PP 8138-8141 TE Free energy of the Lennard-Jones solid AU Martin A.van der Hoef PP 8142-8148 TE Calculation of the compressibilities of hard-sphere fluids from the radial free space distribution function and its application to sound velocity AU Byoung Jip Yoon and Young Gie Ohr PP 8149-8153 TE Transition path sampling of cavitation between molecular scale solvophobic surfaces AU Peter G.Bolhuis and David Chandler PP 8154-8160 TE Reorientational motion of the HS^{-} ions in hydrogensulfides of alkali metals (NaHS, KHS, RbHS): A quasielastic neutron scattering study AU F.Haarmann, H.Jacobs, B.Asmussen, C.Noeldeke, G.J.Kearley, and J.Combet PP 8161-8167 TE Efficiency of encounter-controlled reaction between diffusing reactants in a finite lattice AU John J.Kozak, C.Nicolis, and G.Nicolis PP 8168-8174 TE The valence band structures of BeO, MgO, and CaO AU Vladimir A.Sashin, Helen E.Dorsett, Mohammad A.Bolorizadeh, and Michael J.Ford PP 8175-8182 TE The architecture of fibronectin at surfaces AU L.Guemouri, J.Ogier, Z.Zekhnini, and J.J.Ramsden PP 8183-8186 TE Molecular dynamic simulation of the interaction, at high energy, between the N_{2} molecule and polyethylene AU Emmanuel Duffour PP 8187-8193 TE A comparison of Koehler activation with nucleation for NaCl-H_{2}O AU Philippe Mirabel, Howard Reiss, and Richard K.Bowles PP 8194-8199 TE A theory for the deliquescence of small particles AU Philippe Mirabel, Howard Reiss, and Richard K.Bowles PP 8200-8205 TE Particle number fluctuations in a membrane channel AU Sergey M.Bezrukov, Alexander M.Berezhkovskii, Mark A.Pustovoit, and Attila Szabo PP 8206-8211 TE Critical analysis of the apoferritin adsorption at solid-liquid interfaces in the framework of a particular adsorption model AU Ph.Lavalle, C.Gergely, A.Lustig, and V.Ball PP 8212-8224 TE Structure, thermodynamics, and transition kinetics of nonadecylcyclohexane AU E.B.Sirota, A.B.Herhold, and M.Varma-Nair PP 8225-8236 TE Theoretical investigation of the initial reaction of the NO decomposition on the Si (100) (2x1) reconstructed surface AU Anatoli A.Korkin, Alexander A.Demkov, Noppawan Tanpipat, and Jan Andzelm PP 8237-8248 TE The atomic scale origin of wear on mica and its contribution to friction AU Susanne Kopta and Miquel Salmeron PP 8249-8252 TE Spreading of liquids on gel surfaces AU D.Szabo, S.Akiyoshi, T.Matsunaga, J.P.Gong, Y.Osada, and M.Zrinyi PP 8253-8259 TE Penetration depth of energetic F atoms from F_{2} dissociation in layered rare gas samples AU M.Dickgieser and N.Schwentner PP 8260-8265 TE Temperature dependence of the electronic properties of K_{3}C_{60} and K_{4}C_{60} single-phase films investigated by means of electron spectroscopies AU A.Goldoni, L.Sangaletti, S.L.Friedmann, Z.-X.Shen, M.Peloi, F.Parmigiani, G.Comelli, and G.Paolucci PP 8266-8275 TE Surface plasmon enhanced substrate mediated photochemistry on roughened silver AU Robert T.Kidd, David Lennon, and Stephen R.Meech PP 8276-8282 TE Helium scattering structure analyses of the chemisorbed hydrogen phases on Co(101-bar 0) AU M.Patting, D.Farias, and K.H.Rieder PP 8283-8289 TE Classical theory of molecule-surface scattering: Application to C_{2}H_{2} scattering from LiF AU Hongwei Zhang and J.R.Manson PP 8290-8299 TE The effect of corrugation on the quantum dynamics of dissociative and diffractive scattering of H_{2} from Pt(111) AU E.Pijper, G.J.Kroes, R.A.Olsen, and E.J.Baerends PP 8300-8312 TE Weak-to-strong penetration transition of macromolecules into a slit in theta solvent AU Peter Cifra, Toma[ess with caron] Bleha, Yongmei Wang, and Iwao Teraoka PP 8313-8318 TE Sequencing of folding events in Go-type proteins AU Trinh Xuan Hoang and Marek Cieplak PP 8319-8328 TE Symmetry and designability for lattice protein models AU Tairan Wang, Jonathan Miller, Ned S.Wingreen, Chao Tang, and Ken A.Dill PP 8329-8336 TE Phase diagrams of polydisperse van der Waals fluids AU L.Bellier-Castella, H.Xu, and M.Baus PP 8337-8347 TE The effect of shear flow on morphology and rheology of phase separating binary mixtures AU Zhenli Zhang, Hongdong Zhang, and Yuliang Yang PP 8348-8361 TE Nonmonotonic depletion of phase separation under strong supercooling AU I.Hecht and M.Gitterman PP 8362-8367 TE Concentration-dependent sedimentation of colloidal rods AU Z.Dogic, A.P.Philipse, S.Fraden, and J.K.G.Dhont PP 8368-8380 TE On the reliability of mean-field methods in polymer statistical mechanics AU Stefan Tsonchev, Rob D.Coalson, Shyh-Shi Chern, and Anthony Duncan PP 8381-8389

TE Erratum: "Infrared study of water-benzene mixtures at high temperatures and pressures in the two- and one-phase regions" [J. Chem. Phys., v.113, 1942 (2000)] AU Seiya Furutaka and Shun-ichi Ikawa PP 8390