Journal of Chemical Physics, 2000, V 113, N 22, December 8.

TE Evidence of a dihydrogen bond in gas phase:
Phenol-borane-dimethylamine complex
AU G.Naresh Patwari, Takayuki Ebata, and Naohiko Mikami
PP 9885-9888

TE Exploring the OH+CO reaction coordinate via infrared
spectroscopy of the OH-CO reactant complex
AU Marsha I.Lester, Bethany V.Pond, David T.Anderson,
Lawrence B.Harding, and Albert F.Wagner
PP 9889-9892

TE Separation of cascaded and direct fifth-order Raman signals
using phase-sensitive intrinsic heterodyne detection
AU O.Golonzka, N.Demirdoeven, M.Khalil, and A.Tokmakoff
PP 9893-9896

TE Dynamics of harpooning studied by transition state spectroscopy.
II. Li--FH
AU A.J.Hudson, H.B.Oh, J.C.Polanyi, and P.Piecuch
PP 9897-9900

TE A climbing image nudged elastic band method for finding saddle
points and minimum energy paths
AU Graeme Henkelman, Blas P.Uberuaga, and Hannes Jonsson
PP 9901-9904


TE Intermediate Hamiltonian Fock-space coupled-cluster method: Excitation energies of barium and radium AU Arie Landau, Ephraim Eliav, Yasuyuki Ishikawa, and Uzi Kaldor PP 9905-9910 TE Overdamped Brownian motion in periodic symmetric potentials AU A.C.Branka, A.K.Das, and D.M.Heyes PP 9911-9919 TE Reorientational angle distribution and diffusion coefficient for nodal and cylindrical surfaces AU D.Plewczynski and R.Holyst PP 9920-9929 TE Densities of states in gases, liquids, and solids AU Douglas Poland PP 9930-9939 TE Electric field effects on the ionic-neutral curve crossing of alkali halide molecules AU Carmen Sousa, David Dominguez-Ariza, Coen de Graaf, and Francesc Illas PP 9940-9947 TE Basis set approach to the quantum dissipative dynamics: Application of the multiconfiguration time-dependent Hartree method to the spin-boson problem AU Haobin Wang PP 9948-9956 TE An improved ab initio relativistic zeroth-order regular approximation correct to order 1/c^{2} AU Wim Klopper, Joop H.van Lenthe, and Alf C.Hennum PP 9957-9965 TE Reduced multireference coupled cluster method: Ro-vibrational spectra of N_{2} AU Xiangzhu Li and Josef Paldus PP 9966-9977 TE Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points AU Graeme Henkelman and Hannes Jonsson PP 9978-9985 TE Low-order scaling local electron correlation methods. III. Linear scaling local perturbative triples correction (T) AU Martin Schuetz PP 9986-10001 TE Excited state localization in organic molecules consisting of conjugated and nonconjugated segments AU E.Zojer, P.Buchacher, F.Wudl, J.Cornil, J.Ph.Calbert, J.L.Bredas, and G.Leising PP 10002-10012 TE New tau-dependent correlation functional combined with a modified Becke exchange AU E.Proynov, H.Chermette, and D.R.Salahub PP 10013-10027 TE Time dependent quantum propagation in phase space AU Dmitrii V.Shalashilin and Mark S.Child PP 10028-10036 TE Linear scaling computation of the Fock matrix. V. Hierarchical Cubature for numerical integration of the exchange-correlation matrix AU Matt Challacombe PP 10037-10043 TE Angular distributions of scattered electrons from gaseous benzene molecules AU F.A.Gianturco and Robert R.Lucchese PP 10044-10050 TE Resonant two-photon ionization and laser induced fluorescence spectroscopy of jet-cooled adenine AU Nam Joon Kim, Gawoon Jeong, Yung Sam Kim, Jiha Sung, Seong Keun Kim, and Young Dong Park PP 10051-10055 TE Inhomogeneous speed effects on H_{2} vibrational line profiles in ternary mixtures AU P.Joubert, X.Bruet, J.Bonamy, D.Robert, F.Chaussard, R.Saint-Loup, and H.Berger PP 10056-10061 TE Ab initio molecular dynamics studies of the photodissociation of formaldehyde, H_{2}CO-->H_{2}+CO: Direct classical trajectory calculations by MP2 and density functional theory AU Xiaosong Li, John M.Millam, and H.Bernhard Schlegel PP 10062-10067 TE Intramolecular energy transfer in highly vibrationally excited methanol. IV. Spectroscopy and dynamics of ^{13}CH_{3}OH AU Andrei Chirokolava, David S.Perry, O.V.Boyarkin, M.Schmid, and T.R.Rizzo PP 10068-10072 TE Photodissociation of H_{2}O at 121.6 nm: A state-to-state dynamical picture AU Steven A.Harich, Dennis W.H.Hwang, Xuefeng Yang, Jim J.Lin, Xueming Yang, and Richard N.Dixon PP 10073-10090 TE The role of conical intersections in the nonadiabatic quenching of OH(A ^{2}Sigma^{+}) by molecular hydrogen AU Brian C.Hoffman and David R.Yarkony PP 10091-10099 TE Evaluating free energy, enthalpy, and entropy of protonated water clusters by a grand canonical Monte Carlo simulation AU Isamu Kusaka and David W.Oxtoby PP 10100-10104 TE Time-dependent quantum wave packet studies of the F+HCl and F+DCl reactions AU Bi-Yu Tang, Ben-Hui Yang, Ke-Li Han, Rui-Qin Zhang, and John Z.H.Zhang PP 10105-10113 TE Electron-pair momentum densities of heavy atoms Cs through Lr AU Toshikatsu Koga and Hisashi Matsuyama PP 10114-10120 TE Intermolecular potential-energy surface for the Ar-SH(^{2}Pi_{i}) complex studied by Fourier-transform microwave spectroscopy AU Yoshihiro Sumiyoshi, Yasuki Endo, and Yasuhiro Ohshima PP 10121-10129 TE Time evolution of reactants, intermediates, and products in the vibrational predissociation of Br_{2}...Ne: A theoretical study AU Beatriz Miguel, Adolfo Bastida, Jose Zun~iga, Alberto Requena, and Nadine Halberstadt PP 10130-10142 TE Fine structure of the H_{2} 5g-4f inter-Rydberg transition revealed by difference frequency laser spectroscopy AU D.Uy, C.M.Gabrys, T.Oka, B.J.Cotterell, R.J.Stickland, Ch.Jungen, and A.Wueest PP 10143-10153 TE Rotationally resolved infrared spectrum of the Cl^{-}-H_{2} anion complex AU D.A.Wild, R.L.Wilson, P.S.Weiser, and E.J.Bieske PP 10154-10157 TE The hydrogen fluoride dimer in liquid helium: A prototype system for studying solvent effects on hydrogen bonding AU K.Nauta and R.E.Miller PP 10158-10168 TE The AlCO^{-} and Al(CO)_{2}^{-} anions: Matrix isolation infrared spectra and density functional theory studies AU Luning Zhang, Jian Dong, Mingfei Zhou, and Qizong Qin PP 10169-10173 TE Non-Debye screening in ionic solutions: Generalization of the modified mean spherical approximation AU L.M.Varela, J.M.Ruso, M.Garcia, and V.Mosquera PP 10174-10179 TE Consistency conditions and equation of state for additive hard-sphere fluid mixtures AU C.Barrio and J.R.Solana PP 10180-10185 TE Equation of state of the rigid disk fluid from its triangle distribution AU Frank H.Stillinger, Dorothea K.Stillinger, Salvatore Torquato, Thomas M.Truskett, and Pablo G.Debenedetti PP 10186-10190 TE Photoinduced intermolecular electron transfer in complex liquids: Experiment and theory AU H.L.Tavernier, M.M.Kalashnikov, and M.D.Fayer PP 10191-10201 TE Raman and absorption spectrum of mass-selected lutetium dimers in argon matrices AU Li Fang, Xiaoyu Chen, Xiaole Shen, and John R.Lombardi PP 10202-10206 TE Modeling of dispersive nonphotochemical hole growth kinetics data: Al-phthalocyanine tetrasulphonate in hyperquenched glassy water AU T.Reinot and G.J.Small PP 10207-10214 TE Cation-vacancy ordering in dehydrated Na_{6}[AlSiO_{4}]_{6} AU Scott R.Shannon, Branton J.Campbell, Horia Metiu, and Nick P.Blake PP 10215-10225 TE The cation-vacancy ordering transition in dehydrated Na_{6} sodalite AU Branton J.Campbell, J.Miguel Delgado, Anthony K.Cheetham, Bo B.Iversen, Nick P.Blake, Scott R.Shannon, Susan Latturner, and Galen D.Stucky PP 10226-10239 TE Analysis of solvation structure and thermodynamics of methane in water by reference interaction site model theory using an all-atom model AU Qizhi Cui and Vedene H.Smith, Jr. PP 10240-10245 TE Wetting of glass surfaces by ionic magnetic fluids: Effect of the concentration and the pH of the solution and of the size of the magnetic grains on a surface stabilized birefringent layer AU M.Magalha~es, A.M.Figueiredo Neto, A.Bee, and A.Bourdon PP 10246-10251 TE Surface diffusion in mixed overlayers with superlattice ordering: Percolative transport around obstacles and along domain boundaries AU Da-Jiang Liu and J.W.Evans PP 10252-10264 TE Adsorbate aggregation and relaxation of low-frequency vibrations AU M.V.Pykhtin, Andrew M.Rappe, and Steven P.Lewis PP 10265-10271 TE Kinetics of ordering for a ternary alloy in the pair approximation AU Jun Ni, Binglin Gu, Toshihiro Ashino, and Shuichi Iwata PP 10272-10278 TE Monte Carlo study of the CO-poisoning dynamics in a model for the catalytic oxidation of CO AU Ezequiel V.Albano and Joaquin Marro PP 10279-10283 TE Nonexponential decay of velocity correlations in surface diffusion: The role of interactions and ordering AU I.Vattulainen, T.Hjelt, T.Ala-Nissila, and S.C.Ying PP 10284-10292 TE On the magnetic anisotropy of lanthanide-containing metallomesogens AU Vladimir S.Mironov, Yury G.Galyametdinov, Arnout Ceulemans, and Koen Binnemans PP 10293-10303 TE The degree of dissociation of ionic surfactant shells within a W/O microdroplet AU Heng-Kwong Tsao, Yu-Jane Sheng, and C.-Y.David Lu PP 10304-10312 TE Methane isotopomers adsorbed on KBr(100): An exploration of adsorbate orientation and rotation AU Kent A.Davis and George E.Ewing PP 10313-10322 TE Nucleation and coarsening during epitaxy on a substrate subject to periodic strain: Spatial ordering and size uniformity AU Thomas R.Mattsson and Horia Metiu PP 10323-10332 TE The dynamics of O_{2} adsorption on Pt(533): Step mediated molecular chemisorption and dissociation AU Adam T.Gee and Brian E.Hayden PP 10333-10343 TE Transient effects in ultra shallow depth profiling of silicon by secondary ion mass spectrometry AU P.A.W.van der Heide, M.S.Lim, S.S.Perry, and J.W.Rabalais PP 10344-10352 TE Kinetic oscillations in the catalytic CO oxidation on Pt(100) with adsorbed impurities AU Francisco Chavez, Luis Vicente, and Aurelien Perera PP 10353-10360 TE Role of dye structure in photoinduced reorientation of dye-doped liquid crystals AU L.Marrucci, D.Paparo, M.R.Vetrano, M.Colicchio, E.Santamato, and G.Viscardi PP 10361-10366 TE A dissipative particle dynamics method for modeling the geometrical packing of filler particles in polymer composites AU J.A.Elliott and A.H.Windle PP 10367-10376 TE Localization of random copolymers at a sharp interface: Effect of excluded volume AU Steven Dwyer, Michael Trott, and Zheng Yu Chen PP 10377-10385 TE Thin film polymer blends undergoing phase separation and wetting: Identification of early, intermediate, and late stages AU Howard Wang and Russell J.Composto PP 10386-10397 TE The virial coefficients of the pearl-necklace model AU C.Vega, J.M.Labaig, L.G.MacDowell, and E.Sanz PP 10398-10409

TE A molecular dynamics study of the transport coefficients of liquid transition and noble metals using effective pair potentials obtained from the embedded atom model AU M.M.G.Alemany, L.J.Gallego, L.E.Gonzalez, and D.J.Gonzalez PP 10410-10411 TE Erratum: "An estimate for the Gibbs energy of amorphous solid waters and differences between the low-density amorph and glassy water" [J. Chem. Phys., v.112, 8573 (2000)] AU G.P.Johari PP 10412 TE Erratum: "Photodissociation spectroscopy of Ag_{4}^{+}(N_{2})_{m}, m=0-4" [J. Chem. Phys., v.113, 5361 (2000)] AU Detlef Schooss, Stefan Gilb, Julian Kaller, Manfred M.Kappes, Filipp Furche, Andreas Koehn, Klaus May, and Reinhart Ahlrichs PP 10413-10415