Journal of Chemical Physics

Journal of Chemical Physics, Vol.112, No.13 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (62 articles)

5523 - 5526	The detection of the free radical FO (X (2)Pi(3/2)) by submillimeter-wave spectroscopy Tamassia F, Brown JM, Saito S
5527 - 5529	Preferential deuterium bonding at the ice surface: A probe of surface water molecule mobility Devlin JP
5530 - 5538	Energy decomposition analysis of intermolecular interactions using a block-localized wave function approach Mo YR, Gao JL, Peyerimhoff SD
5539 - 5545	Temperature dependent reaction coordinates Elber R, Shalloway D
5546 - 5557	Multireference perturbation theory for large restricted and selected active space reference wave functions Celani P, Werner HJ
5558 - 5565	Reaction field treatment of charge penetration Chipman DM
5566 - 5575	Nonadiabatic photodissociation dynamics of ICN in the (A)over-tilde continuum: A semiclassical initial value representation study Coronado EA, Batista VS, Miller WH
5576 - 5584	Magnetic coupling in neutral and charged Cr-2, Mn-2, and CrMn dimers Desmarais N, Reuse FA, Khanna SN
5585 - 5592	On apparent quantized transition-state thresholds in the photofragmentation of acetaldehyde King RA, Allen WD, Schaefer HF
5593 - 5603	X-ray Raman scattering under pulsed excitation Gel'mukhanov F, Salek P, Shalagin A, Agren H
5604 - 5610	A CCSDT study of the effects of higher order correlation on spectroscopic constants. I. First row diatomic hydrides Feller D, Sordo JA
5611 - 5623	A study of the relative importance of one and two-electron contributions to spin-orbit coupling Fedorov DG, Gordon MS
5624 - 5632	Convergence of Breit-Pauli spin-orbit matrix elements with basis set size and configuration interaction space: The halogen atoms F, Cl, and Br Nicklass A, Peterson KA, Berning A, Werner HJ, Knowles PJ
5633 - 5638	A nonorthogonal approach to perfect pairing Voorhis TV, Head-Gordon M
5639 - 5653	An extensive study of gradient approximations to the exchange-correlation and kinetic energy functionals Chan GKL, Handy NC
5654 - 5659	Nonresonant photofragmentation/ionization dynamics of O-2 using picosecond and femtosecond laser pulses at 248 nm Bakker BLG, Parker DH, Samartzis PC, Kitsopoulos TN
5660 - 5671	Photodissociation of H2O and D2O below 132 nm Zanganeh AH, Fillion JH, Ruiz J, Castillejo M, Lemaire JL, Shafizadeh N, Rostas F
5672 - 5678	Quantum scattering study of collisional energy transfer in He+NO2: The importance of the vibronic mixing Petrongolo C, Schatz GC
5679 - 5704	Geometric phase effects in the H+D-2 -> HD+D reaction Kendrick BK
5705 - 5710	Electron-hydrogen bonds and OH harmonic frequency shifts in water cluster complexes with a group 1 metal atom, M(H2O)(n) (M=Li and Na) Tsurusawa T, Iwata S
5711 - 5716	Predissociation in b (1)Pi(u),v (v=1,4,5,6) levels of N-2 Ubachs W, Velchev I, de Lange A
5717 - 5721	Proton transfer in the [phenol-NH3](+) system: An experimental and ab initio study Kim HT, Green RJ, Qian J, Anderson SL
5722 - 5730	Potential energy surfaces for and energetics of the weakly-bound Al-H-2 and B-H-2 complexes Williams J, Alexander MH
5731 - 5739	Potential energy surface for a seven-atom reaction. Thermal rate constants and kinetic isotope effects for CH4+OH Espinosa-Garcia J, Corchado JC
5740 - 5750	The c (3)Sigma(+), b (3)Pi, and a (3)Sigma(+) states of NaK revisited Ferber R, Pazyuk EA, Stolyarov AV, Zaitsevskii A, Kowalczyk P, Chen HM, Wang H, Stwalley WC
5751 - 5761	On the importance of exchange effects in three-body interactions: The lowest quartet state of Na-3 Higgins J, Hollebeek T, Reho J, Ho TS, Lehmann KK, Rabitz H, Scoles G, Gutowski M
5762 - 5766	Verification of the insertion mechanism of N(2 D-2) into H-H bonds by the vibrational state distribution measurement of NH(X (3)Sigma(-),0 <= v ＇＇<= 3) Umemoto H, Terada N, Tanaka K
5767 - 5776	Structure and properties of the weakly bound trimer (H2O)(2)HCl observed by rotational spectroscopy Kisiel Z, Bialkowska-Jaworska E, Pszczolkowski L, Milet A, Struniewicz C, Moszynski R, Sadlej J
5777 - 5786	Photodissociation of water. I. Electronic structure calculations for the excited states van Harrevelt R, van Hemert MC
5787 - 5808	Photodissociation of water. II. Wave packet calculations for the photofragmentation of H2O and D2O in the (B)over-tilde band van Harrevelt R, van Hemert MC
5809 - 5819	Ab initio determination of the far infrared spectra of some isotopic varieties of ethanol Senent ML, Smeyers YG, Dominguez-Gomez R, Villa M
5820 - 5828	Charge-transfer effects in the gas-phase protonation of ozone: Locating the conical intersections Ceotto M, Gianturco FA
5829 - 5843	Competition between photochemistry and energy transfer in ultraviolet-excited diazabenzenes. I. Photofragmentation studies of pyrazine at 248 nm and 266 nm Sevy ET, Muyskens MA, Rubin SM, Flynn GW, Muckerman JT
5844 - 5851	Competition between photochemistry and energy transfer in ultraviolet-excited diazabenzenes. II. Identifying the dominant energy donor for "supercollisions" Sevy ET, Michaels CA, Tapalian HC, Flynn GW
5852 - 5865	Ab initio based study of the ArO- photoelectron spectra: Selectivity of spin-orbit transitions Buchachenko AA, Jakowski J, Chalasinski G, Szczesniak MM, Cybulski SM
5866 - 5876	Theoretical study of the potential energy surfaces and bound states of HCP Nanbu S, Gray SK, Kinoshita T, Aoyagi M
5877 - 5883	The structure of liquid ethanol: A neutron diffraction and molecular dynamics study Benmore CJ, Loh YL
5884 - 5892	Deuteron and carbon magnetic resonance studies of supercooled liquid and glassy salol Doss A, Hinze G, Bohmer R, Sillescu H, Kolshorn H, Vogel M, Zimmermann H
5893 - 5901	Electron transfer via interaction with a polar medium: Modulation and solvation Tibbets DA, Dakhnovskii Y
5902 - 5909	Radio-frequency-mediated dipolar recoupling among half-integer quadrupolar spins Baldus M, Rovnyak D, Griffin RG
5910 - 5914	The spectra and the relative yield of solvated electrons produced by resonant photodetachment of iodide anion in ethylene glycol in the temperature range 296 <= T <= 453 K Chandrasekhar N, Krebs P
5915 - 5918	Line tension of Langmuir monolayer phase boundaries determined with optical tweezers Wurlitzer S, Steffen P, Fischer TM
5919 - 5931	Photolysis of CH3I on Cu(110) at 337 nm: Direct and charge-transfer photodissociation Johnson CC, Jensen ET
5932 - 5941	The effect of the underlying substrate on the crystallization kinetics of dense amorphous solid water films Dohnalek Z, Kimmel GA, Ciolli RL, Stevenson KP, Smith RS, Kay BD
5942 - 5947	Electron-phonon coupling dynamics in very small (between 2 and 8 nm diameter) Au nanoparticles Hodak JH, Henglein A, Hartland GV
5948 - 5956	Orientation and symmetry of ethylene on Pd(110): A combined HREELS and NEXAFS study Okuyama H, Ichihara S, Ogasawara H, Kato H, Komeda T, Kawai M, Yoshinobu J
5957 - 5969	The polarized infrared and Raman spectra of alpha-T6 single crystal: An experimental and theoretical study Degli Esposti A, Fanti M, Muccini M, Taliani C, Ruani G
5970 - 5974	Interaction of longitudinal and transverse optic modes in silica glass Tan CZ, Arndt J
5975 - 5984	Comparative dynamics of Cl(P-2) and O(P-3) interactions with a hydrocarbon surface Garton DJ, Minton TK, Alagia M, Balucani N, Casavecchia P, Volpi GG
5985 - 5990	Computer simulation studies of liquid lenses at a liquid-liquid interface Bresme F, Quirke N
5991 - 5999	Hydrogen adsorption in the NaA zeolite: A comparison between numerical simulations and experiments Darkrim F, Aoufi A, Malbrunot P, Levesque D
6000 - 6005	Production of fullerenes and single-wall carbon nanotubes by high-temperature pulsed arc discharge Sugai T, Omote H, Bandow S, Tanaka N, Shinohara H
6006 - 6014	A density functional theory study of CH2 and H adsorption on Ni(111) Michaelides A, Hu P
6015 - 6022	Mechanism and cross sections for HD and CH4-xDx (x=1-4) formation in D(g)+CH3/Cu(111) reaction at 100 K Kim JY, Lee J
6023 - 6030	Correspondence between the pressure expressions and van der Waals theory for a curved surface Blokhuis EM, Lekkerkerker HNW, Szleifer I
6031 - 6039	Energy disposal in collisions of nitric oxide with molecular adlayers on transition metal single crystal surfaces: Translational energy disposal Ainsworth MK, McCombie J, McCoustra MRS, Chesters MA
6040 - 6048	Thermodynamic properties of lattice polymers: Monte Carlo simulations and mean-field theories Buta D, Freed KF, Szleifer I
6049 - 6062	Scaling properties of the morphological measures at the early and intermediate stages of the spinodal decomposition in homopolymer blends Aksimentiev A, Moorthi K, Holyst R
6063 - 6072	Distribution of lipids in nonlamellar phases of their mixtures Li XJ, Schick M
6073 - 6083	Monte Carlo simulation of homopolymer melts in plane Poiseuille flow Gleiman SS, Dorgan JR
6084 - 6088	One way to characterize the compact structures of lattice protein model Wang B, Yu ZG
6089 - 6089	Topological effects due to conical intersections: A model study of two interacting conical intersections (vol 111, pg 9493, 1999) Baer M