The Journal of Chemical Physics, 2000, March 22, V 112, N 12.

TE Does variational transition state theory provide an upper bound
to the rate in dissipative systems?
AU Alexander N.Drozdov and Susan C.Tucker
PP 5251-5253

TE The relationship between nonexponential relaxation and molecular
stiffness in aromatic model compounds
AU V.P.Privalko, T.A.Ezquerra, M.Zolotukhin, F.J.Balta-Calleja,
G.Nequlqueo, C.Garcia, la Campa, and Abajo
PP 5254-5256


TE Surplus function variational quantum Monte Carlo approach: Excited state processing AU Hongxin Huang, Xianbiao Zeng, and Lei Ming PP 5257-5262 TE Comparison of Chebyshev, Faber, and Lanczos propagation-based methods for calculating resonances AU Daiqian Xie, Rongqing Chen, and Hua Guo PP 5263-5269 TE The slowly-varying noninteracting electron gas in terms of its kinetic energy density AU Matthias Ernzerhof and Gustavo E.Scuseria PP 5270-5274 TE Diffusion measurements with the pulsed gradient nonlinear spin echo method AU Ioan Ardelean and Rainer Kimmich PP 5275-5280 TE A simple model for product rovibrational distributions in elementary chemical reactions AU Kaspars Truhins, Richard Marsh, Anthony J.McCaffery, and Thomas W.J.Whiteley PP 5281-5291 TE Adiabatic connection from accurate wave-function calculations AU Derek Frydel, William M.Terilla, and Kieron Burke PP 5292-5297

TE Completely inverted ClO vibrational distribution from OClO(^{2}A_{2} 24,0,0) AU R.F.Delmdahl, B.L.G.Bakker, and D.H.Parker PP 5298-5300 TE Photofragment translational spectroscopy with state-selective "universal detection:" The ultraviolet photodissociation of CS_{2} AU W.Sean McGivern, Osman Sorkhabi, Abbas H.Rizvi, Arthur G.Suits, and Simon W.North PP 5301-5307 TE Spectra of Ar-CO_{2} from ab initio potential energy surfaces AU Alston J.Misquitta, Robert Bukowski, and Krzysztof Szalewicz PP 5308-5319 TE Measurement of 10^{-1} s state-specific lifetimes in the neutral CO molecule AU Thomas Sykora and C.R.Vidal PP 5320-5324 TE Valence one-electron and shake-up ionization bands of carbon clusters. II. The C_{n} (n=4,6,8,10) rings AU M.S.Deleuze, M.G.Giuffreda, J.-P.Francois, and L.S.Cederbaum PP 5325-5338

TE Finite-size corrections to the free energies of crystalline solids AU J.M.Polson, E.Trizac, S.Pronk, and D.Frenkel PP 5339-5342 TE Ammonia synthesis at low temperatures AU T.H.Rod, A.Logadottir, and J.K.Norskov PP 5343-5347 TE Identifiability of a model for diffusion-mediated intramolecular excited-state quenching AU Eugene Novikov, Andrzej Molski, and Noeel Boens PP 5348-5352 TE pi-dimers of oligothiophene cations AU Geert Brocks PP 5353-5363 TE Predicting the gas-liquid critical point from the second virial coefficient AU G.A.Vliegenthart and H.N.W.Lekkerkerker PP 5364-5369 TE The non-separability of "dielectric" and "mechanical" friction in molecular systems: A simulation study AU P.V.Kumar and M.Maroncelli PP 5370-5381 TE Refinements on solvation continuum models: Hydrogen-bond effects on the OH stretch in liquid water and methanol AU Chiara Cappelli, Benedetta Mennucci, Clarissa O.da Silva, and Jacopo Tomasi PP 5382-5392 TE Energetics of small n-pentanol clusters from droplet nucleation rate data AU Michael Knott, Hanna Vehkamaeki, and Ian J.Ford PP 5393-5398

TE A dynamic model for exciton self-trapping in conjugated polymers. I. Theory AU Mark N.Kobrak and Eric R.Bittner PP 5399-5409 TE A dynamic model for exciton self-trapping in conjugated polymers. II. Implementation AU Mark N.Kobrak and Eric R.Bittner PP 5410-5419 TE The electronic structure and surface chemistry of glycine adsorbed on Cu(110) AU M.Nyberg, J.Hasselstroem, O.Karis, N.Wassdahl, M.Weinelt, A.Nilsson, and L.G.M.Pettersson PP 5420-5427 TE Silver nanoparticles on graphite studied by femtosecond time-resolved multiphoton photoemission AU J.Lehmann, M.Merschdorf, W.Pfeiffer, A.Thon, S.Voll, and G.Gerber PP 5428-5434 TE First principles analysis of hydrogen chemisorption on Pd-Re alloyed overlayers and alloyed surfaces AU Venkataraman Pallassana, Matthew Neurock, Lars B.Hansen, and Jens K.Norskov PP 5435-5439 TE Transport mechanisms during spreading of MoO_{3} on Al_{2}O_{3} supports investigated by photoelectron spectromicroscopy AU S.Guenther, L.Gregoratti, M.Kiskinova, E.Taglauer, P.Grotz, U.A.Schubert, and H.Knoezinger PP 5440-5446

TE Molecular simulation and theory of the isotropic-nematic interface AU Michael P.Allen PP 5447-5453 TE Thermal composition fluctuations near the isotropic Lifshitz critical point in a ternary mixture of a homopolymer blend and diblock copolymer AU Dietmar Schwahn, Kell Mortensen, Henrich Frielinghaus, Kristoffer Almdal, and Lars Kielhorn PP 5454-5472 TE Effect of small-scale architecture on polymer mobility AU Jutta Luettmer-Strathmann PP 5473-5479 TE Swelling of a model network: A Gibbs-ensemble molecular dynamics study AU E.M.Aydt and R.Hentschke PP 5480-5487 TE The Smoluchowski diffusion equation for structured macromolecules near structured surfaces AU Michael H.Peters PP 5488-5498 TE Optimization of the anisotropic united atoms intermolecular potential for n-alkanes AU Philippe Ungerer, Christele Beauvais, Jerome Delhommelle, Anne Boutin, Bernard Rousseau, and Alain H.Fuchs PP 5499-5510

TE Comment on "Effect of gravity on contact angle: A theoretical investigation" [J. Chem. Phys., v.109, 3651 (1998)] AU E.M.Blokhuis PP 5511-5512 TE Response to "Comment on `Effect of gravity on contact angle: A theoretical investigation'" [J. Chem. Phys., v.112, 5511 (2000)] AU C.A.Ward and M.R.Sasges PP 5513-5514 TE Erratum: "Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method" [J. Chem. Phys., v.111, 4218 (1999)] AU Riccardo Chelli, Sonia Ciabatti, Gianni Cardini, Roberto Righini, and Piero Procacci PP 5515