Journal of Chemical Physics, 2001, V 115, N 12, September 22.


TE Predissociation dynamics of formyloxyl radical studied by the
dissociative photodetachment of HCO_{2}^{-}/DCO_{2}^{-}+hnu-->H/D+CO_{2}+e^{-}
AU Todd G.Clements and Robert E.Continetti
PP 5345-5348

TE Theory of enantiomeric control in dimethylallene using achiral light
AU David Gerbasi, Moshe Shapiro, and Paul Brumer
PP 5349-5352

ARTICLES

TE Path integral molecular dynamics method based on a pair density matrix approximation: An algorithm for distinguishable and identical particle systems AU Shinichi Miura and Susumu Okazaki PP 5353-5361 TE On the accuracy of the fixed-node diffusion quantum Monte Carlo method AU Sebastian Manten and Arne Luechow PP 5362-5366 TE Multidimensional quantum propagation with the help of coupled coherent states AU Dmitrii V.Shalashilin and Mark S.Child PP 5367-5375 TE Trapping of Brownian particles by random spheres of different radii AU Alexander M.Berezhkovskii, Yurii A.Makhnovskii, and George H.Weiss PP 5376-5380 TE Linear and nonlinear response functions of the Morse oscillator: Classical divergence and the uncertainty principle AU Jianlan Wu and Jianshu Cao PP 5381-5391 TE Thermohydrodynamics for a van der Waals fluid AU Pep Espan~ol PP 5392-5403 TE Photoelectron spectroscopy of bimetallic aluminum cobalt cluster anions: Comparison of electronic structure and hydrogen chemisorption rates AU Axel Pramann, Atsushi Nakajima, and Koji Kaya PP 5404-5410 TE Ab initio studies of dissociation pathways on the ground- and excited-state potential energy surfaces for HFCO AU Wei-Hai Fang and Ruo-Zhuang Liu PP 5411-5417 TE High resolution femtosecond coherent anti-Stokes Raman scattering: Determination of rotational constants, molecular anharmonicity, collisional line shifts, and temperature AU T.Lang, M.Motzkus, H.M.Frey, and P.Beaud PP 5418-5426 TE The HD-He complex: Interaction-induced dipole surface and infrared absorption spectra AU Magnus Gustafsson and Lothar Frommhold PP 5427-5432 TE Experimental and theoretical studies of the near-infrared spectrum of bromomethylene AU Hua-Gen Yu, Tomas Gonzalez-Lezana, Andrew J.Marr, James T.Muckerman, and Trevor J.Sears PP 5433-5444 TE Anharmonic vibrational frequencies of proton transfer coordinates in the clusters of aromatic molecules with water AU A.Jansen and M.Gerhards PP 5445-5453 TE Anisotropic photodissociation of CH_{3}Cl^{+.} AU Dong Shin Won, Myung Soo Kim, Joong Chul Choe, and Tae-Kyu Ha PP 5454-5460 TE Selective field ionization of high Rydberg states: Application to zero-kinetic-energy photoelectron spectroscopy AU U.Hollenstein, R.Seiler, H.Schmutz, M.Andrist, and F.Merkt PP 5461-5469 TE Thermodynamic investigation of the Si_{7} and Si_{8} clusters by Knudsen cell mass spectrometry AU G.Meloni and K.A.Gingerich PP 5470-5476 TE Full-dimensional quantum study of the vibrational predissociation of the I_{2}...Ne_{2} cluster AU C.Meier and U.Manthe PP 5477-5484 TE Emission spectroscopy, harmonic vibrational frequencies, and improved ground state structures of jet-cooled monochloro- and monobromosilylene (HSiCl and HSiBr) AU David A.Hostutler, Nicholas Ndiege, Dennis J.Clouthier, and Steven W.Pauls PP 5485-5491 TE Numerical simulations of molecular orientation using strong, nonresonant, two-color laser fields AU Tsuneto Kanai and Hirofumi Sakai PP 5492-5497 TE The ^{19}F-^{1}H coupling constants transmitted through covalent, hydrogen bond, and van der Waals interactions AU Magdalena Pecul, Joanna Sadlej, and Jerzy Leszczynski PP 5498-5506 TE Production of ground state OH following electron impact on H_{2}O AU T.Harb, W.Kedzierski, and J.W.McConkey PP 5507-5512 TE Heterogeneous relaxation in supercooled liquids: A density functional theory analysis AU Rajesh K.Murarka and Biman Bagchi PP 5513-5520 TE A comparison of the properties of 2,2,2-trifluoroethanol and 2,2,2-trifluoroethanol/water mixtures using different force fields AU Rajappa Chitra and Paul E.Smith PP 5521-5530 TE Electronic and vibrational dynamic solvent effects on Raman spectra AU Chiara Cappelli, Stefano Corni, and Jacopo Tomasi PP 5531-5535 TE Quantum correction factors for multiphonon processes in condensed phase vibrational relaxation AU Binny J.Cherayil PP 5536-5545 TE Deviations from ideal behavior in isotopic mixtures of ammonia AU J.N.Canongia Lopes, L.P.N.Rebelo, and J.C.G.Calado PP 5546-5553 TE Structure and spectroscopy of Pa^{4+} defects in Cs_{2}ZrCl_{6}. An ab initio theoretical study AU Luis Seijo and Zoila Barandiaran PP 5554-5560 TE The structure of a fluid mixture of deuterated ethane and deuterated methane by high-pressure neutron diffraction experiments AU Till Pfleiderer, Helmut Bertagnolli, Klaus Toedheide, and Henry E.Fischer PP 5561-5566 TE The rates of redistribution of CCl_{3}F clusters under subsaturation conditions AU Zhikai Cheng, Raman Pall, and Heshel Teitelbaum PP 5567-5581 TE Surface anisotropy from photo-induced bond breaking at polymer surfaces: A sum-frequency vibrational spectroscopic study of polyimide AU Masahito Oh-e, Doseok Kim, and Y.R.Shen PP 5582-5588 TE Orientation and nonlinear optical properties of N-4-nitrophenyl-(L)-prolinol crystals on nanostructured poly(tetrafluoroethylene) substrates AU R.Vallee, P.Damman, M.Dosiere, E.Toussaere, and J.Zyss PP 5589-5596 TE The effect of surface roughness on the adhesion of elastic solids AU B.N.J.Persson and E.Tosatti PP 5597-5610 TE Reactivity of vibrationally excited methane on nickel surfaces AU Lauri Halonen, Steven L.Bernasek, and David J.Nesbitt PP 5611-5619 TE Direct comparisons of rates for low temperature diffusion of hydrogen and deuterium on Cu(001) from quantum mechanical calculations and scanning tunneling microscopy experiments AU Jeremy Kua, Lincoln J.Lauhon, Wilson Ho, and William A.Goddard III PP 5620-5624 TE Photophysical and theoretical studies of naphthalene-substituted oligothiophenes AU J.Seixas de Melo, L.M.Silva, and Masami Kuroda PP 5625-5636 TE Electronic structure and properties of rhombohedrally polymerized C_{60} AU A.V.Okotrub, V.V.Belavin, L.G.Bulusheva, V.A.Davydov, T.L.Makarova, and D.Tomanek PP 5637-5641 TE Simulation of bulk, confined, and polydisperse systems. I. A unified methodological framework AU Fernando A.Escobedo PP 5642-5652 TE Simulation of bulk, confined, and polydisperse systems. II. Application to chain systems AU Fernando A.Escobedo PP 5653-5661 TE Colloidal aggregation induced by attractive interactions AU A.M.Puertas, A.Fernandez-Barbero, and F.J.de las Nieves PP 5662-5668 TE An integral equation theory for polymer solutions: Explicit inclusion of the solvent molecules AU Sergio Mendez, John G.Curro, Mathias Puetz, Dmitry Bedrov, and Grant D.Smith PP 5669-5678 TE Predictions of the change in extinction coefficient for prolate particles under shear AU Samuel J.Gason, Daniel Lester, Leong Yeow, David V.Boger, and Dave E.Dunstan PP 5679-5689
LETTERS TO THE EDITOR

TE Erratum: "The accuracy of atomization energies from explicitly correlated coupled-cluster calculations" [J. Chem. Phys., v.115,2022 (2001)] AU Jozef Noga, Pierre Valiron, and Wim Klopper PP 5690 TE Erratum: "Experimental distinction between phase shifts and time delays: Implications for femtosecond spectroscopy and coherent control of chemical reactions" [J. Chem. Phys., v.111, 10934 (1999)] AU Allison W.Albrecht Ferro, John D.Hybl, Sarah M.Gallagher Faeder, and David M.Jonas PP 5691 TE Erratum: "An energy-resolved study of the partial fragmentation dynamics of Ar-HCl into H+Ar-Cl after ultraviolet photodissociation" [J. Chem. Phys., v.112, 4983 (2000)] AU J.C.Juanes-Marcos and A.Garcia-Vela PP 5692-5694