The Journal of Chemical Physics, 2001, V 114, N 17, May 1.


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