Journal of Chemical Physics, 2001, V 115, N 11, September 15.


TE Mapping the orientation of exciton transition dipoles along
individual nanostructures of molecular J-aggregates
AU Martin Vacha, Masaaki Saeki, Osamu Isobe, Ken-ichi Hashizume,
and Toshiro Tani
PP 4973-4976

TE General trends in the barriers of catalytic reactions on
transition metal surfaces
AU Zhi-Pan Liu and P.Hu
PP 4977-4980

ARTICLES

TE An ab initio procedure for deriving atomic polarizability tensors in molecules AU Jon R.Maple and Carl S.Ewig PP 4981-4988 TE Design strategies for pulse sequences in multidimensional optical spectroscopies AU C.Scheurer and S.Mukamel PP 4989-5004 TE Thermal relaxation of electron spin motion in a thermal equilibrium ensemble: Relation to paramagnetic nuclear magnetic resonance relaxation AU Robert Sharp and Lawrence Lohr PP 5005-5014 TE Dissipative particle dynamics for interacting systems AU I.Pagonabarraga and D.Frenkel PP 5015-5026 TE Parallel-hat tempering: A Monte Carlo search scheme for the identification of low-energy structures AU Yang Zhang and Jeffrey Skolnick PP 5027-5032 TE Two-body coupled cluster expansions AU Troy Van Voorhis and Martin Head-Gordon PP 5033-5040 TE Experimental study of photoionization of ozone in the 12 to 21 eV region AU A.Mocellin, K.Wiesner, F.Burmeister, O.Bjoerneholm, and A.Naves de Brito PP 5041-5046 TE Determination of the electric dipole moment and excited state Fermi contact parameter of the GeCH radical AU Tony C.Smith, Dennis J.Clouthier, and Timothy C.Steimle PP 5047-5052 TE Electron-impact ionization of NH_{3} and ND_{3} AU R.Rejoub, B.G.Lindsay, and R.F.Stebbings PP 5053-5058 TE Morphing the He-OCS intermolecular potential AU Joanna M.M.Howson and Jeremy M.Hutson PP 5059-5065 TE On the effects of spin-orbit coupling on conical intersection seams in molecules with an odd number of electrons. II. Characterizing the local topography of the seam AU Spiridoula Matsika and David R.Yarkony PP 5066-5075 TE Electronic decay in weakly bound heteroclusters: Energy transfer versus electron transfer AU Juergen Zobeley, Robin Santra, and Lorenz S.Cederbaum PP 5076-5088 TE Rotationally resolved spectra of transitions involving motion of the methyl group of acetaldehyde in the system A~ ^{1}A"-X~^{1}A' AU Yung-Ching Chou, Cheng-Liang Huang, I-Chia Chen, Chi-Kung Ni, and A.H.Kung PP 5089-5100 TE Probing hydrogen bond network formation in anion-water clusters through high energy collision experiments AU Palle Jorgensen, James S.Forster, Preben Hvelplund, Steen Brondsted Nielsen, and Shigeo Tomita PP 5101-5106 TE A combined crossed beam and ab initio investigation on the reaction of carbon species with C_{4}H_{6} isomers. III. 1,2-butadiene, H_{2}CCCH(CH_{3}) (X ^{1}A')-a non-Rice-Ramsperger-Kassel-Marcus system? AU N.Balucani, H.Y.Lee, A.M.Mebel, Y.T.Lee, and R.I.Kaiser PP 5107-5116 TE Unimolecular decomposition of chemically activated triplet C_{4}HD_{3} complexes: A combined crossed-beam and ab initio study AU R.I.Kaiser, A.M.Mebel, Y.T.Lee, and A.H.H.Chang PP 5117-5125 TE The 4ppi ^{3}Pi_{g}-a ^{3}Sigma_{u}^{+} system in ^{20}Ne_{2} and ^{22}Ne_{2} AU J.A.Conway, F.Shen, C.M.Herring, J.G.Eden, and Marshall L.Ginter PP 5126-5131 TE Exchange repulsion increases internal rotation floppiness AU Vojislava Pophristic and Lionel Goodman PP 5132-5136 TE High resolution infrared spectroscopy and ab initio calculations of HCN-H_{2}/D_{2} binary complexes AU D.T.Moore, M.Ishiguro, L.Oudejans, and R.E.Miller PP 5137-5143 TE Binary complexes of HCN with H_{2}, HD, and D_{2} formed in helium nanodroplets AU D.T.Moore, M.Ishiguro, and R.E.Miller PP 5144-5154 TE Rotational spectra of the H_{2}-HCN cluster observed by millimeter-wave spectroscopy combined with a pulsed supersonic jet technique AU Masazumi Ishiguro, Takehiko Tanaka, Kensuke Harada, Christopher J.Whitham, and Keiichi Tanaka PP 5155-5159 TE A quasiclassical trajectory study of product energy and angular distributions for the OH+D_{2} reaction AU Matthew J.Lakin, Diego Troya, Gyoergy Lendvay, Miguel Gonzalez, and George C.Schatz PP 5160-5169 TE Photoelectron spectroscopy of mono-niobium carbide clusters NbC_{n}^{-}(n=2-7): Evidence for a cyclic to linear structural transition AU Hua-Jin Zhai, Shu-Rong Liu, Xi Li, and Lai-Sheng Wang PP 5170-5178 TE Activation barriers for series of exothermic homologous reactions. VI. Reactions of lanthanide and transition metal atoms. AU Alan S.Blue and Arthur Fontijn PP 5179-5183 TE Spectroscopic investigation of tetrahydroisoquinoline in supersonic jet AU Abhijit Chakraborty, Nikhil Guchhait, Sudip Banerjee, Debnarayan Nath, G.Naresh Patwari, and Mihir Chowdhury PP 5184-5191 TE Intermolecular vibrations of the jet-cooled 2-pyridone-2-hydroxypyridine mixed dimer, a model for tautomeric nucleic acid base pairs AU Andreas Mueller, Francis Talbot, and Samuel Leutwyler PP 5192-5202 TE The permanent electric dipole moment of MgNC AU Timothy C.Steimle and Robert R.Bousquet PP 5203-5207 TE Lattice sums and their phase diagram implications for the classical Lennard-Jones model AU Frank H.Stillinger PP 5208-5212 TE Unbiased density functional solutions of freezing in binary mixtures of hard or soft spheres AU M.Valera, R.F.Bielby, F.J.Pinski, and D.D.Johnson PP 5213-5219 TE The reaction field of a water molecule in liquid water: Comparison of different quantum/classical models AU Stephanie Chalmet and Manuel F.Ruiz-Lopez PP 5220-5227 TE A stable fluctuating-charge polarizable model for molecular dynamics simulations: Application to aqueous electron transfers AU Koji Ando PP 5228-5237 TE A geometric model for cold water and liquid-liquid transitions AU Nara Guisoni and Vera Bohomoletz Henriques PP 5238-5243 TE CO adsorption on hydrogen saturated Ru(0001) AU B.Riedmueller, I.M.Ciobica, D.C.Papageorgopoulos, F.Frechard, B.Berenbak, A.W.Kleyn, and R.A.van Santen PP 5244-5251 TE Aluminum-barium interfaces on some processable poly(p-phenylene vinylene) polymers studied by photoelectron spectroscopy AU A.Crispin, A.Jonsson, M.Fahlman, and W.R.Salaneck PP 5252-5257 TE Surface phase diagrams for wetting on heterogenous substrates AU C.Rascon and A.O.Parry PP 5258-5271 TE A density functional theory study of carbon monoxide oxidation on the Cu_{3}Pt(111) alloy surface: Comparison with the reactions on Pt(111) and Cu(111) AU C.J.Zhang, R.J.Baxter, P.Hu, A.Alavi, and M.-H.Lee PP 5272-5277 TE On the spectral shape of low-frequency excess scattering in Raman spectra of glasses AU V.N.Novikov, N.V.Surovtsev, and S.Kojima PP 5278-5283 TE Effect of S and O on the growth of chemical-vapor deposition diamond (100) surfaces AU Hiroyuki Tamura, Hui Zhou, Seiichi Takami, Momoji Kubo, Akira Miyamoto, Mikka N.-Gamo, and Toshihiro Ando PP 5284-5291 TE Density depletion profile and solvation free energy of a colloidal particle in a polymer solution AU R.Maassen, E.Eisenriegler, and A.Bringer PP 5292-5309 TE Statics and dynamics of model dendrimers as studied by molecular dynamics simulations AU K.Karatasos, D.B.Adolf, and G.R.Davies PP 5310-5318 TE Stability of colloidal clusters in shear flow near a wall: Stokesian dynamics simulation studies AU R.B.Jones PP 5319-5330 TE A simple lattice model for phase transitions in block copolymers AU G.L.Aranovich and M.D.Donohue PP 5331-5337
LETTERS TO THE EDITOR

TE Erratum: "Comparison of planar shear flow and planar elongational flow for systems of small molecules" [J. Chem. Phys., v.113, 9122 (2000)] AU M.L.Matin, P.J.Daivis, and B.D.Todd PP 5338