TE Length scale of dynamic heterogeneity in supercooled
Glycerol near T_{g}
AU S.A.Reinsberg, X.H.Qiu, M.Wilhelm, H.W.Spiess, and M.D.Ediger
PP 7299-7302
ARTICLES
TE Accuracy of free-energy perturbation calculations in
Molecular simulation. I. Modeling
AU Nandou Lu and David A.Kofke
PP 7303-7311
TE Quantum partition functions from classical
distributions: Application to rare-gas clusters
AU F.Calvo, J.P.K.Doye, and D.J.Wales
PP 7312-7329
TE Fast-growth thermodynamic integration: Error and efficiency
analysis
AU Gerhard Hummer
PP 7330-7337
TE Fourth order gradient symplectic integrator methods for solving
the time-dependent Schroedinger equation
AU Siu A.Chin and C.R.Chen
PP 7338-7341
TE Assessment of the quality of orbital energies in resolution-of-the-identity
Hartree-Fock calculations using demon auxiliary basis sets
AU Sebastien Hamel, Mark E.Casida, and Dennis R.Salahub
PP 7342-7350
TE Fingerprints of the nodal structure of autoionizing vibrational
wave functions in clusters: Interatomic Coulombic decay in Ne dimer
AU Nimrod Moiseyev, Robin Santra, Juergen Zobeley, and Lorenz S.Cederbaum
PP 7351-7360
TE Matrix isolation spectroscopy of propylbenzene conformers and
trapping sites
AU Shlomit Dvir and Yehuda Haas
PP 7361-7367
TE High resolution absorption spectrum of N_{2}O between 75 000 and
104 000 cm^{-1}
AU Claudina Cossart-Magos, Martin Jungen, and Francoise Launay
PP 7368-7378
TE Observation of collision induced state-to-state energy transfer
in electronically and highly rotationally excited NH_{2}
AU Ralf Wilhelm and Joerg Lindner
PP 7379-7387
TE The electronic structure of CuCl_{2} and CuBr_{2} from anion
photoelectron spectroscopy and ab initio calculations
AU Xue-Bin Wang, Lai-Sheng Wang, Reuben Brown, Peter Schwerdtfeger,
Detlef Schroeder, and Helmut Schwarz
PP 7388-7395
TE Three-center versus four-center elimination in photolysis of
vinyl fluoride and vinyl bromide at 193 nm: Bimodal rotational
distribution of HF and HBr (v<5) detected with time-resolved
Fourier transform spectroscopy
AU Shiaw-Ruey Lin, Shih-Che Lin, Yu-Chang Lee, Yung-Ching Chou,
I-Chia Chen, and Yuan-Pern Lee
PP 7396-7406
TE Electron collisions with octafluorocyclobutane, c-C_{4}F_{8}
AU Carl Winstead and Vincent McKoy
PP 7407-7412
TE Ab initio and diatomics in molecule potentials for I_{2}^{-},
I_{2}, I_{3}^{-}, and I_{3}
AU Jiri Vala, Ronnie Kosloff, and Jeremy N.Harvey
PP 7413-7423
TE The infrared-ultraviolet dispersed fluorescence spectrum of
acetylene: New classes of bright states
AU Kennosuke Hoshina, Atsushi Iwasaki, Kaoru Yamanouchi,
Matthew P.Jacobson, and Robert W.Field
PP 7424-7442
TE Ab initio electronic structure of HCN^{-} and HNC^{-}
dipole-bound anions and a description of electron loss upon
tautomerization
AU Piotr Skurski, Maciej Gutowski, and Jack Simons
PP 7443-7449
TE Ground and excited states of HNC, NH, and NH_{2} transients: Ab
initio geometries, electronic structures, and molecular properties
AU Rajendra Pd.and P.Chandra
PP 7450-7460
TE A quantum and semiclassical study of dynamical resonances in the
C+NO-->CN+O reaction
AU Ravinder Abrol, Laurent Wiesenfeld, Bruce Lambert, and Aron Kuppermann
PP 7461-7470
TE Theory of time dependent optical linewidths in supercooled liquids
AU Ranko Richert
PP 7471-7476
TE Structure and electronic properties of carbon onions
AU Satoshi Tomita, Takahiro Sakurai, Hitoshi Ohta, Minoru Fujii,
and Shinji Hayashi
PP 7477-7482
TE Reliability theory for receptor-ligand bond dissociation
AU David F.J.Tees, John T.Woodward, and David A.Hammer
PP 7483-7496
TE A molecular approach to quantum fluids based on a generalized
Ornstein-Zernike integral equation
AU Keiko Shinoda, Shinichi Miura, and Susumu Okazaki
PP 7497-7505
TE The cooling rate dependence of crystallization for liquid
copper: A molecular dynamics study
AU C.S.Liu, Junchao Xia, Z.G.Zhu, and D.Y.Sun
PP 7506-7512
TE Molecular-dynamics simulations of ion size effects on the fluid
structure of aqueous electrolyte systems between charged model electrodes
AU Paul S.Crozier, Richard L.Rowley, and Douglas Henderson
PP 7513-7517
TE Dynamics of the water-catalyzed phototautomerization of 7-azaindole
AU Antonio Fernandez-Ramos, Zorka Smedarchina, Willem Siebrand,
and Marek Z.Zgierski
PP 7518-7526
TE The hydrophobic hydration of methane as a function of
temperature from histogram reweighting Monte Carlo simulations
AU J.Hernandez-Cobos, A.D.Mackie, and L.F.Vega
PP 7527-7535
TE Picosecond time-resolved resonance Raman observation of the
iso-CH_{2}Cl-I and iso-CH_{2}I-Cl photoproducts from the
"photoisomerization" reactions of CH_{2}ICl in the solution phase
AU Wai Ming Kwok, Chensheng Ma, Anthony W.Parker, David Phillips,
Michael Towrie, Pavel Matousek, Xuming Zheng, and David Lee Phillips
PP 7536-7543
TE Computer simulation studies of aqueous solutions at ambient and
supercritical conditions using effective pair potential and
polarizable potential models for water
AU S.Koneshan, Jayendran C.Rasaiah, and Liem X.Dang
PP 7544-7555
TE Conductivity of deionized two-component colloidal suspensions
AU Patrick Wette, Hans-Joachim Schoepe, Ralf Biehl,
and Thomas Palberg
PP 7556-7562
TE Random sequential adsorption and diffusion of dimers and k-mers
on a square lattice
AU C.Fusco, P.Gallo, A.Petri, and M.Rovere
PP 7563-7569
TE Annealing thin colloidal crystals with optical gradient forces
AU Pamela T.Korda and David G.Grier
PP 7570-7573
TE An effective Hamiltonian for correlations in interfaces
AU J.Stecki
PP 7574-7580
TE Vibrational de-excitation of v=1 H_{2} during collisions with a
Cu(100) surface
AU R.C.Mowrey, D.A.McCormack, G.J.Kroes, and E.J.Baerends
PP 7581-7592
TE Molecular simulation and continuum mechanics investigation of
viscoelastic properties of fluids confined to molecularly thin films
AU Rajesh Khare, Juan de Pablo, and Arun Yethiraj
PP 7593-7601
TE Structure and dynamics of amorphous silica surfaces
AU Alexandra Roder, Walter Kob, and Kurt Binder
PP 7602-7614
TE Adsorption state of dimethyl disulfide on Au(111): Evidence for
adsorption as thiolate at the bridge site
AU Tomohiro Hayashi, Yoshitada Morikawa, and Hisakazu Nozoye
PP 7615-7621
TE Formation of n-alcohol crystallites from solution
AU Z.Kozisek, T.Koga, K.Sato, and P.Demo
PP 7622-7626
TE A statistical model for the length distribution of meshes in a
polymer network
AU M.Lang, W.Michalke, and S.Kreitmeier
PP 7627-7632
TE Coupled-perturbed Hartree-Fock theory for infinite periodic
systems: Calculation of static electric properties of (LiH)_{n},
(FH)_{n}, (H_{2}O)_{n}, (-CNH-)_{n}, and (-CH=CH-)_{n}
AU David M.Bishop, Feng Long Gu, and Bernard Kirtman
PP 7633-7643
TE Phase behavior of monomeric mixtures and polymer solutions with
soft interaction potentials
AU C.M.Wijmans, B.Smit, and R.D.Groot
PP 7644-7654
TE Soft ellipsoid model for Gaussian polymer chains
AU Frank Eurich and Philipp Maass
PP 7655-7668
TE A three-dimensional statistical mechanical model of folding
double-stranded chain molecules
AU Wenbing Zhang and Shi-Jie Chen
PP 7669-7681
TE Multilayer adsorption model for the protein-ligand interaction
AU L.M.Varela, M.Garcia, M.Perez-Rodriguez, P.Taboada, J.M.Ruso,
and V.Mosquera
PP 7682-7687
TE Solvent effects on the collapse dynamics of polymers
AU Rakwoo Chang and Arun Yethiraj
PP 7688-7699
TE Polyelectrolytes tethered to a similarly charged surface
AU O.V.Borisov, F.A.M.Leermakers, G.J.Fleer, and E.B.Zhulina
PP 7700-7712
LETTERS TO THE EDITOR
TE Erratum: "Time evolution of reactants, intermediates and
products in the vibrational predissociation of Br_{2}---Ne: A
theoretical study" [J. Chem. Phys., v.113, 10130 (2000)]
AU Beatriz Miguel, Adolfo Bastida, Jose Zun~iga, Alberto Requena,
and Nadine Halberstadt
PP 7713