Journal of Chemical Physics

Journal of Chemical Physics, Vol.116, No.16 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (55 articles)

6867 - 6870	Asymmetric solvation revisited: The importance of hydrogen bonding in iodide-acetonitrile clusters Timerghazin QK, Nguyen TN, Peslherbe GH
6871 - 6874	Inverted stick-slip friction: What is the mechanism? Filippov AE, Klafter J, Urbakh M
6875 - 6879	Isobaric-isothermal fluctuation theorem Mittag E, Searles DJ, Evans DJ
6880 - 6897	Calculation of the group-based pressure in molecular simulations. I. A general formulation including Ewald and particle-particle-particle-mesh electrostatics Hunenberger PH
6898 - 6909	Calculation of the group-based pressure in molecular simulations. II. Numerical tests and application to liquid water Oliva B, Hunenberger PH
6910 - 6913	Relative sizes of atoms observed in electron momentum densities Koga T
6914 - 6923	Relativistic effects on linear and nonlinear polarizabilities studied by effective-core potential, Douglas-Kroll, and Dirac-Hartree-Fock response theory Norman P, Schimmelpfennig B, Ruud K, Jensen HJA, Agren H
6924 - 6929	Accurate correlation potentials from integral formulation of density functional perturbation theory Ivanov S, Levy M
6930 - 6940	Chiroptical properties from time-dependent density functional theory. I. Circular dichroism spectra of organic molecules Autschbach J, Ziegler T, van Gisbergen SJA, Baerends EJ
6941 - 6947	A Hamiltonian electrostatic coupling scheme for hybrid Car-Parrinello molecular dynamics simulations Laio A, VandeVondele J, Rothlisberger U
6948 - 6956	Extrapolating the coupled-cluster sequence toward the full configuration-interaction limit Goodson DZ
6957 - 6960	Atomization energies and enthalpies of formation of the SnBin (n=1-3) gaseous molecules by Knudsen cell mass spectrometry Meloni G, Gingerich KA
6961 - 6972	Laser-induced fluorescence of the CHXCFO (X=F,Cl) radicals Inomata S, Yamaguchi M, Washida N
6973 - 6981	Application of a Drude model to the binding of excess electrons to water clusters Wang F, Jordan KD
6982 - 6989	A complete look at the dissociation dynamics of vinylfluoride at 157 nm Tu JY, Lin JJ, Lee YT, Yang XM
6990 - 6999	A 118 nm vacuum ultraviolet laser/time-of-flight mass spectroscopic study of methanol and ethanol clusters in the vapor phase Shi YJ, Consta S, Das AK, Mallik B, Lacey D, Lipson RH
7000 - 7011	Relaxation dynamics of deuterated formyl and isoformyl cations Wester R, Hechtfischer U, Knoll L, Lange M, Levin J, Scheffel M, Schwalm D, Wolf A, Baer A, Vager Z, Zajfman D, Mladenovic M, Schmatz S
7012 - 7026	Valence one-electron and shake-up ionization bands of polycyclic aromatic hydrocarbons. II. Azulene, phenanthrene, pyrene, chrysene, triphenylene, and perylene Deleuze MS
7027 - 7034	Probing the nature of the K-rotor in unimolecular reactions: Scalar and vector correlations in the photodissociation of NCNO McGivern WS, North SW
7035 - 7039	Infrared emission spectroscopy of the [10.5](5)Delta-X-5 Delta system of VF Ram RS, Bernath PF, Davis SP
7040 - 7048	Statistical model of energy transfer in molecular collisions: De-energization of highly excited toluene Nilsson D, Nordholm S
7049 - 7056	Acetone n-radical cation conformational preference and torsional barrier Pophristic V, Goodman L, Gorb L, Leszczynski J
7057 - 7064	High resolution electronic spectroscopy of three n-alkylbenzenes: ethyl-, propyl-, and butylbenzene Borst DR, Joireman PW, Pratt DW, Robertson EG, Simons JP
7065 - 7072	A quantum reactive scattering study of the spin-forbidden CH(X (2)Pi)+N-2(X (1)Sigma(+)(g))-> HCN(X (1)Sigma(+))+N(S-4) reaction Wada A, Takayanagi T
7073 - 7080	Self-sustained Maser oscillations of a large magnetization driven by a radiation damping-based electronic feedback Abergel D, Louis-Joseph A, Lallemand JY
7081 - 7086	A continued fraction approach to cross diffusivity in a binary fluid mixture Dhole K, Samanta A, Ghosh SK
7087 - 7093	Structure of the strongly associated liquid antimony pentafluoride: An ab initio molecular dynamics study Raugei S, Klein ML
7094 - 7103	A fundamental-measure theory for inhomogeneous associating fluids Yu YX, Wu JZ
7104 - 7108	Chiral fluctuations in achiral clusters and liquids via molecular dynamics simulations LaViolette RA, Harris RA
7109 - 7115	Ordering of alkali halide salts dissolved in bacteriophage Pf1 solutions: A nuclear magnetic resonance study Vyas S, Hernandez CJ, Augustine MP
7116 - 7126	Grand canonical ensemble simulation studies of polydisperse fluids Wilding NB, Sollich P
7127 - 7136	Ab initio chemical potentials of solid and liquid solutions and the chemistry of the Earth's core Alfe D, Gillan MJ, Price GD
7137 - 7144	Dielectric spectra of mono- and disaccharide aqueous solutions Fuchs K, Kaatze U
7145 - 7150	Solid-fluid coexistence of the Lennard-Jones system from absolute free energy calculations Barroso MA, Ferreira AL
7151 - 7157	Layer by layer removal of Au atoms from passivated Au(111) surfaces using the scanning tunneling microscope: Nanoscale "paint stripping" Keel JM, Yin J, Guo Q, Palmer RE
7158 - 7169	Quantum studies of Eley-Rideal reactions between H atoms on a graphite surface Sha XW, Jackson B, Lemoine D
7170 - 7176	Monte Carlo, density functional theory, and Poisson-Boltzmann theory study of the structure of an electrolyte near an electrode Boda D, Fawcett WR, Henderson D, Sokolowski S
7177 - 7188	Critical adsorption and boundary layer structure of 2-butoxyethanol+D2O mixtures at a hydrophilic silica surface Howse JR, Manzanares-Papayanopoulos E, McLure IA, Bowers J, Steitz R, Findenegg GH
7189 - 7199	Open-system density matrix description of femtosecond laser desorption of electronically and vibrationally relaxing adsorbates: Single- and two-pulse scenarios Nest M, Saalfrank P
7200 - 7206	Reactivity and deconstruction of the (1x2)-Rh(110) surface studied by scanning tunneling microscopy Africh C, Esch F, Comelli G, Rosei R
7207 - 7216	The role of charge-transfer states of the metal-adsorbate complex in surface-enhanced Raman scattering Arenas JF, Soto J, Tocon IL, Fernandez DJ, Otero JC, Marcos JI
7217 - 7224	Computer simulation of the phase behavior of a model membrane protein: Annexin V Bates MA, Noro MG, Frenkel D
7225 - 7230	Monte Carlo simulation of proteins through a random walk in energy space Rathore N, de Pablo JJ
7231 - 7237	Thermodynamic control and dynamical regimes in protein folding Faisca PFN, Ball RC
7238 - 7243	A biased Monte Carlo technique for calculation of the density of states of polymer films Jain TS, de Pablo JJ
7244 - 7254	Simulation of short-chain polymer collapse with an explicit solvent Polson JM, Zuckermann MJ
7255 - 7268	Modeling self-assembly in molecular fluids Aranovich GL, Donohue MD
7269 - 7275	X-ray scattering study of the structure of water around myoglobin for several levels of hydration Dorbez-Sridi R, Cortes R, Mayer E, Pin S
7276 - 7282	Time-dependent survival probability in diffusion-controlled reactions in a polymer chain: Beyond the Wilemski-Fixman theory Srinivas G, Sebastian KL, Bagchi B
7283 - 7294	Self-consistent-field theory for interacting polymeric assemblies. I. Formulation, implementation, and benchmark tests Roan JR, Kawakatsu T
7295 - 7310	Self-consistent-field theory for interacting polymeric assemblies. II. Steric stabilization of colloidal particles Roan JR, Kawakatsu T
7311 - 7315	Competing growth kinetics in simultaneously crystallizing and phase-separating polymer blends Wang H, Shimizu K, Kim H, Hobbie EK, Wang ZG, Han CC
7316 - 7322	Locally heterogeneous dynamics in miscible blends of poly(methyl methacrylate) and poly(vinylidene fluoride) Carini G, D'Angelo G, Tripodo G, Bartolotta A, Di Marco G, Lanza M, Privalko VP, Gorodilov BY, Rekhteta NA, Privalko EG
7323 - 7325	Comment on "The alpha-relaxation process in simple glass forming liquid m-toluidine. II. The temperature dependence of the mechanical response" [J. Chem. Phys. 114, 7124 (2001)] Dreyfus C, Gupta R, Bonello B, Bousquet C, Taschin A, Ricci M, Pratesi G
7326 - 7326	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. 116, 7323 (2002)] Cutroni M, Mandanici A