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, J.G.de la Campa, and J.de Abajo
PP 5254-5256
THEORETICAL METHODS AND ALGORITHMS
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
GAS PHASE DYNAMICS AND STRUCTURE: SPECTROSCOPY, MOLECULAR
INTERACTIONS, SCATTERING, AND PHOTOCHEMISTRY
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
CONDENSED PHASE DYNAMICS, STRUCTURE, AND THERMODYNAMICS:
SPECTROSCOPY, REACTIONS, AND RELAXATION
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
SURFACES, INTERFACES, AND MATERIALS
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
POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS
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
LETTERS TO THE EDITOR
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