The Journal of Chemical Physics, 2000, V 112, N 13, April 1.

TE The detection of the free radical FO (X ^{2}Pi_{3/2}) by
submillimeter-wave spectroscopy
AU Filippo Tamassia, John M.Brown, and Shuji Saito
PP 5523-5526

TE Preferential deuterium bonding at the ice surface: A probe of
surface water molecule mobility
AU J.Paul Devlin
PP 5527-5529


TE Energy decomposition analysis of intermolecular interactions using a block-localized wave function approach AU Yirong Mo, Jiali Gao, and Sigrid D.Peyerimhoff PP 5530-5538 TE Temperature dependent reaction coordinates AU Ron Elber and David Shalloway PP 5539-5545 TE Multireference perturbation theory for large restricted and selected active space reference wave functions AU Paolo Celani and Hans-Joachim Werner PP 5546-5557 TE Reaction field treatment of charge penetration AU Daniel M.Chipman PP 5558-5565 TE Nonadiabatic photodissociation dynamics of ICN in the A~ continuum: A semiclassical initial value representation study AU Eduardo A.Coronado, Victor S.Batista, and William H.Miller PP 5566-5575 TE Magnetic coupling in neutral and charged Cr_{2}, Mn_{2}, and CrMn dimers AU N.Desmarais, F.A.Reuse, and S.N.Khanna PP 5576-5584 TE On apparent quantized transition-state thresholds in the photofragmentation of acetaldehyde AU Rollin A.King, Wesley D.Allen, and Henry F.Schaefer III PP 5585-5592 TE X-ray Raman scattering under pulsed excitation AU Faris Gel'mukhanov, Pawel Salek, Anatoly Shalagin, and Hans Agren PP 5593-5603 TE A CCSDT study of the effects of higher order correlation on spectroscopic constants. I. First row diatomic hydrides AU David Feller and Jose A.Sordo PP 5604-5610 TE A study of the relative importance of one and two-electron contributions to spin-orbit coupling AU Dmitri G.Fedorov and Mark S.Gordon PP 5611-5623 TE Convergence of Breit-Pauli spin-orbit matrix elements with basis set size and configuration interaction space: The halogen atoms F, Cl, and Br AU Andreas Nicklass, Kirk A.Peterson, Andreas Berning, Hans-Joachim Werner, and Peter J.Knowles PP 5624-5632 TE A nonorthogonal approach to perfect pairing AU Troy Van Voorhis and Martin Head-Gordon PP 5633-5638 TE An extensive study of gradient approximations to the exchange-correlation and kinetic energy functionals AU Garnet Kin-Lic Chan and Nicholas C.Handy PP 5639-5653

TE Nonresonant photofragmentation/ionization dynamics of O_{2} using picosecond and femtosecond laser pulses at 248 nm AU Bernard L.G.Bakker, David H.Parker, Peter C.Samartzis, and Theofanis N.Kitsopoulos PP 5654-5659 TE Photodissociation of H_{2}O and D_{2}O below 132 nm AU A.H.Zanganeh, J.H.Fillion, J.Ruiz, M.Castillejo, J.L.Lemaire, N.Shafizadeh, and F.Rostas PP 5660-5671 TE Quantum scattering study of collisional energy transfer in He+NO_{2}: The importance of the vibronic mixing AU Carlo Petrongolo and George C.Schatz PP 5672-5678 TE Geometric phase effects in the H+D_{2}-->HD+D reaction AU Brian K.Kendrick PP 5679-5704 TE Electron-hydrogen bonds and OH harmonic frequency shifts in water cluster complexes with a group 1 metal atom, M(H_{2}O)_{n} (M=Li and Na) AU Takeshi Tsurusawa and Suehiro Iwata PP 5705-5710 TE Predissociation in b ^{1}Pi_{u},v (v=1,4,5,6) levels of N_{2} AU W.Ubachs, I.Velchev, and Lange PP 5711-5716 TE Proton transfer in the [phenol-NH_{3}]^{+} system: An experimental and ab initio study AU Ho-Tae Kim, Richard J.Green, Jun Qian, and Scott L.Anderson PP 5717-5721 TE Potential energy surfaces for and energetics of the weakly-bound Al-H_{2} and B-H_{2} complexes AU Jason Williams and Millard H.Alexander PP 5722-5730 TE Potential energy surface for a seven-atom reaction. Thermal rate constants and kinetic isotope effects for CH_{4}+OH AU J.Espinosa-Garcia and J.C.Corchado PP 5731-5739 TE The c ^{3}Sigma^{+}, b ^{3}Pi, and a ^{3}Sigma^{+} states of NaK revisited AU R.Ferber, E.A.Pazyuk, A.V.Stolyarov, A.Zaitsevskii, P.Kowalczyk, Hongmin Chen, He Wang, and William C.Stwalley PP 5740-5750 TE On the importance of exchange effects in three-body interactions: The lowest quartet state of Na_{3} AU J.Higgins, T.Hollebeek, J.Reho, T.-S.Ho, K.K.Lehmann, H.Rabitz, G.Scoles, and Maciej Gutowski PP 5751-5761 TE Verification of the insertion mechanism of N(2 ^{2}D) into H-H bonds by the vibrational state distribution measurement of NH(X ^{3}Sigma^{-},0

TE The structure of liquid ethanol: A neutron diffraction and molecular dynamics study AU Chris J.Benmore and Yen L.Loh PP 5877-5883 TE Deuteron and carbon magnetic resonance studies of supercooled liquid and glassy salol AU Axel Does, Gerald Hinze, Roland Boehmer, Hans Sillescu, Heinz Kolshorn, Michael Vogel, and Herbert Zimmermann PP 5884-5892 TE Electron transfer via interaction with a polar medium: Modulation and solvation AU David A.Tibbets and Yuri Dakhnovskii PP 5893-5901 TE Radio-frequency-mediated dipolar recoupling among half-integer quadrupolar spins AU Marc Baldus, David Rovnyak, and Robert G.Griffin PP 5902-5909 TE The spectra and the relative yield of solvated electrons produced by resonant photodetachment of iodide anion in ethylene glycol in the temperature range 296

TE Line tension of Langmuir monolayer phase boundaries determined with optical tweezers AU S.Wurlitzer, P.Steffen, and Th.M.Fischer PP 5915-5918 TE Photolysis of CH_{3}I on Cu(110) at 337 nm: Direct and charge-transfer photodissociation AU C.C.Johnson and E.T.Jensen PP 5919-5931 TE The effect of the underlying substrate on the crystallization kinetics of dense amorphous solid water films AU Z.Dohnalek, Greg A.Kimmel, Ryan L.Ciolli, K.P.Stevenson, R.Scott Smith, and Bruce D.Kay PP 5932-5941 TE Electron-phonon coupling dynamics in very small (between 2 and 8 nm diameter) Au nanoparticles AU Jose H.Hodak, Arnim Henglein, and Gregory V.Hartland PP 5942-5947 TE Orientation and symmetry of ethylene on Pd(110): A combined HREELS and NEXAFS study AU H.Okuyama, S.Ichihara, H.Ogasawara, Hiroyuki Kato, T.Komeda, Maki Kawai, and J.Yoshinobu PP 5948-5956 TE The polarized infrared and Raman spectra of alpha-T6 single crystal: An experimental and theoretical study AU Alessandra Degli Esposti, Marianna Fanti, Michele Muccini, Carlo Taliani, and Giampiero Ruani PP 5957-5969 TE Interaction of longitudinal and transverse optic modes in silica glass AU C.Z.Tan and J.Arndt PP 5970-5974 TE Comparative dynamics of Cl(^{2}P) and O(^{3}P) interactions with a hydrocarbon surface AU Donna J.Garton, Timothy K.Minton, Michele Alagia, Nadia Balucani, Piergiorgio Casavecchia, and Gian Gualberto Volpi PP 5975-5984 TE Computer simulation studies of liquid lenses at a liquid-liquid interface AU Fernando Bresme and Nicholas Quirke PP 5985-5990 TE Hydrogen adsorption in the NaA zeolite: A comparison between numerical simulations and experiments AU Farida Darkrim, Asdin Aoufi, Pierre Malbrunot, and Dominique Levesque PP 5991-5999 TE Production of fullerenes and single-wall carbon nanotubes by high-temperature pulsed arc discharge AU Toshiki Sugai, Hideki Omote, Shunji Bandow, Nobuo Tanaka, and Hisanori Shinohara PP 6000-6005 TE A density functional theory study of CH_{2} and H adsorption on Ni(111) AU A.Michaelides and P.Hu PP 6006-6014 TE Mechanism and cross sections for HD and CH_{4-x}D_{x} (x=1-4) formation in D(g)+CH_{3}/Cu(111) reaction at 100 K AU Jae-Young Kim and Jihwa Lee PP 6015-6022 TE Correspondence between the pressure expressions and van der Waals theory for a curved surface AU Edgar M.Blokhuis, H.N.W.Lekkerkerker, and Igal Szleifer PP 6023-6030 TE Energy disposal in collisions of nitric oxide with molecular adlayers on transition metal single crystal surfaces: Translational energy disposal AU M.K.Ainsworth, J.McCombie, M.R.S.McCoustra, and M.A.Chesters PP 6031-6039

TE Thermodynamic properties of lattice polymers: Monte Carlo simulations and mean-field theories AU Dorel Buta, Karl F.Freed, and Igal Szleifer PP 6040-6048 TE Scaling properties of the morphological measures at the early and intermediate stages of the spinodal decomposition in homopolymer blends AU Aleksij Aksimentiev, Krzysztof Moorthi, and Robert Holyst PP 6049-6062 TE Distribution of lipids in nonlamellar phases of their mixtures AU Xiao-jun Li and M.Schick PP 6063-6072 TE Monte Carlo simulation of homopolymer melts in plane Poiseuille flow AU Seth S.Gleiman and John R.Dorgan PP 6073-6083 TE One way to characterize the compact structures of lattice protein model AU Bin Wang and Zu-Guo Yu PP 6084-6088

TE Erratum: "Topological effects due to conical intersections: A model study of two interacting conical intersections" [J. Chem. Phys., v.111, 9493 (1999)] AU Michael Baer PP 6089