The Journal of Chemical Physics, 2002, V 116, N 16, 22 April.

TE Asymmetric solvation revisited: The importance of hydrogen
bonding in iodide-acetonitrile clusters
AU Qadir K.Timerghazin, Tao-Nhan Nguyen, and Gilles H.Peslherbe
PP 6867-6870

TE Inverted stick-slip friction: What is the mechanism?
AU A.E.Filippov, J.Klafter, and M.Urbakh
PP 6871-6874


TE Isobaric-isothermal fluctuation theorem AU Emil Mittag, Debra J.Searles, and Denis J.Evans PP 6875-6879 TE Calculation of the group-based pressure in molecular simulations. I. A general formulation including Ewald and particle-particle-particle-mesh electrostatics AU Philippe H.Huenenberger PP 6880-6897 TE Calculation of the group-based pressure in molecular simulations. II. Numerical tests and application to liquid water AU Baldomero Oliva and Philippe H.Huenenberger PP 6898-6909 TE Relative sizes of atoms observed in electron momentum densities AU Toshikatsu Koga PP 6910-6913 TE Relativistic effects on linear and nonlinear polarizabilities studied by effective-core potential, Douglas-Kroll, and Dirac-Hartree-Fock response theory AU Patrick Norman, Bernd Schimmelpfennig, Kenneth Ruud, Hans Jorgen Aa.Jensen, and Hans Agren PP 6914-6923 TE Accurate correlation potentials from integral formulation of density functional perturbation theory AU Stanislav Ivanov and Mel Levy PP 6924-6929 TE Chiroptical properties from time-dependent density functional theory. I. Circular dichroism spectra of organic molecules AU Jochen Autschbach, Tom Ziegler, Stan J.A.van Gisbergen, and Evert Jan Baerends PP 6930-6940 TE A Hamiltonian electrostatic coupling scheme for hybrid Car-Parrinello molecular dynamics simulations AU Alessandro Laio, Joost VandeVondele, and Ursula Rothlisberger PP 6941-6947 TE Extrapolating the coupled-cluster sequence toward the full configuration-interaction limit AU David Z.Goodson PP 6948-6956 TE Atomization energies and enthalpies of formation of the SnBi_{n} (n=1-3) gaseous molecules by Knudsen cell mass spectrometry AU G.Meloni and K.A.Gingerich PP 6957-6960 TE Laser-induced fluorescence of the CHXCFO (X=F,Cl) radicals AU Satoshi Inomata, Makoto Yamaguchi, and Nobuaki Washida PP 6961-6972 TE Application of a Drude model to the binding of excess electrons to water clusters AU F.Wang and K.D.Jordan PP 6973-6981 TE A complete look at the dissociation dynamics of vinylfluoride at 157 nm AU Jinying Tu, Jim J.Lin, Yuan T.Lee, and Xueming Yang PP 6982-6989 TE A 118 nm vacuum ultraviolet laser/time-of-flight mass spectroscopic study of methanol and ethanol clusters in the vapor phase AU Y.J.Shi, S.Consta, A.K.Das, B.Mallik, D.Lacey, and R.H.Lipson PP 6990-6999 TE Relaxation dynamics of deuterated formyl and isoformyl cations AU R.Wester, U.Hechtfischer, L.Knoll, M.Lange, J.Levin, M.Scheffel, D.Schwalm, A.Wolf, A.Baer, Z.Vager, D.Zajfman, M.Mladenovic, and S.Schmatz PP 7000-7011 TE Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons. II. Azulene, phenanthrene, pyrene, chrysene, triphenylene, and perylene AU Michael S.Deleuze PP 7012-7026 TE Probing the nature of the K-rotor in unimolecular reactions: Scalar and vector correlations in the photodissociation of NCNO AU W.Sean McGivern and Simon W.North PP 7027-7034 TE Infrared emission spectroscopy of the [10.5]^{5}Delta-X^{5}Delta system of VF AU R.S.Ram, P.F.Bernath, and S.P.Davis PP 7035-7039 TE Statistical model of energy transfer in molecular collisions: De-energization of highly excited toluene AU Daniel Nilsson and Sture Nordholm PP 7040-7048 TE Acetone n-radical cation conformational preference and torsional barrier AU Vojislava Pophristic, Lionel Goodman, Leonid Gorb, and Jerzy Leszczynski PP 7049-7056 TE High resolution electronic spectroscopy of three n-alkylbenzenes: ethyl-, propyl-, and butylbenzene AU David R.Borst, Paul W.Joireman, David W.Pratt, Evan G.Robertson, and John P.Simons PP 7057-7064 TE A quantum reactive scattering study of the spin-forbidden CH(X ^{2}Pi)+N_{2}(X ^{1}Sigma_{g}^{+})-->HCN(X ^{1}Sigma^{+})+N(^{4}S) reaction AU Akira Wada and Toshiyuki Takayanagi PP 7065-7072 TE Self-sustained Maser oscillations of a large magnetization driven by a radiation damping-based electronic feedback AU Daniel Abergel, Alain Louis-Joseph, and Jean-Yves Lallemand PP 7073-7080 TE A continued fraction approach to cross diffusivity in a binary fluid mixture AU Kajal Dhole, Alok Samanta, and Swapan K.Ghosh PP 7081-7086 TE Structure of the strongly associated liquid antimony pentafluoride: An ab initio molecular dynamics study AU Simone Raugei and Michael L.Klein PP 7087-7093 TE A fundamental-measure theory for inhomogeneous associating fluids AU Yang-Xin Yu and Jianzhong Wu PP 7094-7103 TE Chiral fluctuations in achiral clusters and liquids via molecular dynamics simulations AU Randall A.LaViolette and Robert A.Harris PP 7104-7108 TE Ordering of alkali halide salts dissolved in bacteriophage Pf1 solutions: A nuclear magnetic resonance study AU S.Vyas, C.J.Hernandez, and M.P.Augustine PP 7109-7115 TE Grand canonical ensemble simulation studies of polydisperse fluids AU Nigel B.Wilding and Peter Sollich PP 7116-7126 TE Ab initio chemical potentials of solid and liquid solutions and the chemistry of the Earth's core AU D.Alfe, M.J.Gillan, and G.D.Price PP 7127-7136 TE Dielectric spectra of mono- and disaccharide aqueous solutions AU K.Fuchs and U.Kaatze PP 7137-7144 TE Solid-fluid coexistence of the Lennard-Jones system from absolute free energy calculations AU M.A.Barroso and A.L.Ferreira PP 7145-7150 TE Layer by layer removal of Au atoms from passivated Au(111) surfaces using the scanning tunneling microscope: Nanoscale "paint stripping" AU J.M.Keel, J.Yin, Q.Guo, and R.E.Palmer PP 7151-7157 TE Quantum studies of Eley-Rideal reactions between H atoms on a graphite surface AU Xianwei Sha, Bret Jackson, and Didier Lemoine PP 7158-7169 TE Monte Carlo, density functional theory, and Poisson-Boltzmann theory study of the structure of an electrolyte near an electrode AU Dezsoe Boda, W.Ronald Fawcett, Douglas Henderson, and Stefan Sokolowski PP 7170-7176 TE Critical adsorption and boundary layer structure of 2-butoxyethanol+D_{2}O mixtures at a hydrophilic silica surface AU Jonathan R.Howse, Emilio Manzanares-Papayanopoulos, Ian A.McLure, James Bowers, Roland Steitz, and Gerhard H.Findenegg PP 7177-7188 TE Open-system density matrix description of femtosecond laser desorption of electronically and vibrationally relaxing adsorbates: Single- and two-pulse scenarios AU Mathias Nest and Peter Saalfrank PP 7189-7199 TE Reactivity and deconstruction of the (1x2)-Rh(110) surface studied by scanning tunneling microscopy AU C.Africh, F.Esch, G.Comelli, and R.Rosei PP 7200-7206 TE The role of charge-transfer states of the metal-adsorbate complex in surface-enhanced Raman scattering AU Juan F.Arenas, Juan Soto, Isabel Lopez Tocon, David J.Fernandez, Juan C.Otero, and Juan I.Marcos PP 7207-7216 TE Computer simulation of the phase behavior of a model membrane protein: Annexin V AU Martin A.Bates, Massimo G.Noro, and Daan Frenkel PP 7217-7224 TE Monte Carlo simulation of proteins through a random walk in energy space AU Nitin Rathore and Juan Pablo PP 7225-7230 TE Thermodynamic control and dynamical regimes in protein folding AU P.F.N.Faisca and R.C.Ball PP 7231-7237 TE A biased Monte Carlo technique for calculation of the density of states of polymer films AU Tushar S.Jain and Juan Pablo PP 7238-7243 TE Simulation of short-chain polymer collapse with an explicit solvent AU James M.Polson and Martin J.Zuckermann PP 7244-7254 TE Modeling self-assembly in molecular fluids AU G.L.Aranovich and M.D.Donohue PP 7255-7268 TE X-ray scattering study of the structure of water around myoglobin for several levels of hydration AU R.Dorbez-Sridi, R.Cortes, E.Mayer, and S.Pin PP 7269-7275 TE Time-dependent survival probability in diffusion-controlled reactions in a polymer chain: Beyond the Wilemski-Fixman theory AU Goundla Srinivas, K.L.Sebastian, and Biman Bagchi PP 7276-7282 TE Self-consistent-field theory for interacting polymeric assemblies. I. Formulation, implementation, and benchmark tests AU Jiunn-Ren Roan and Toshihiro Kawakatsu PP 7283-7294 TE Self-consistent-field theory for interacting polymeric assemblies. II. Steric stabilization of colloidal particles AU Jiunn-Ren Roan and Toshihiro Kawakatsu PP 7295-7310 TE Competing growth kinetics in simultaneously crystallizing and phase-separating polymer blends AU Howard Wang, Katsumi Shimizu, Hongdoo Kim, Erik K.Hobbie, Zhi-Gang Wang, and Charles C.Han PP 7311-7315 TE Locally heterogeneous dynamics in miscible blends of poly and poly(vinylidene fluoride) AU G.Carini, G.D'Angelo, G.Tripodo, A.Bartolotta, G.Di Marco, M.Lanza, V.P.Privalko, B.Ya.Gorodilov, N.A.Rekhteta,and E.G.Privalko PP 7316-7322

TE Comment on "The alpha-relaxation process in simple glass forming liquid m-toluidine. II. The temperature dependence of the mechanical response" [J. Chem. Phys., v.114, 7124 (2001)] AU C.Dreyfus, R.Gupta, B.Bonello, C.Bousquet, A.Taschin, M.Ricci, and G.Pratesi PP 7323-7325 TE Response to "Comment on `The alpha-relaxation process in simple glass forming liquid m-toluidine. II. The temperature dependence of the mechanical response'" [J. Chem. Phys., v.116, 7323 (2002)] AU M.Cutroni and A.Mandanici PP 7326