Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.106, No.33 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (68 articles)

7961 - 7972	John C Tully - Tribute Head-Gordon M, Hammes-Schiffer S
7973 - 7980	Rotational relaxation in supercritical CO2 Adams JE, Siavosh-Haghighi A
7981 - 7990	Quantum dissipation in the hydrodynamic moment hierarchy: A semiclassical truncation strategy Maddox JB, Bittner ER
7991 - 7994	Mechanism for damage to DNA by low-energy electrons Barrios R, Skurski P, Simons J
7995 - 8004	An atomic perspective of a doped metal-oxide interface Jarvis EAA, Carter EA
8005 - 8008	Footprints of a surface chemical reaction: Dissociative chemisorption of p-diiodobenzene on Cu{111} McCarty GS, Weiss PS
8009 - 8018	Ab initio molecular dynamics investigation of the concentration dependence of charged defect transport in basic solutions via calculation of the infrared spectrum Zhu ZW, Tuckerman ME
8019 - 8028	Low-temperature growth of epitaxial ss-SiC on Si(100) using supersonic molecular beams of methylsilane Sanchez EC, Sibener SJ
8029 - 8037	Comparisons of models for simulating energy transfer in Ne-atom collisions with an alkyl thiolate self-assembled monolayer Yan TY, Hase WL
8038 - 8046	A new semiempirical approach to study ground and excited states of metal complexes in biological systems Margulis CJ, Guallar V, Sim E, Friesner RA, Berne BJ
8047 - 8054	Nonadiabatic molecular dynamics simulation of light-induced, electron transfer from an anchored molecular electron donor to a semiconductor acceptor Stier W, Prezhdo OV
8055 - 8063	Determining vibrational solvation-correlation functions from three-pulse infrared photon echoes Piryatinski A, Skinner JL
8064 - 8069	Surface tensions and surface segregation of n-butanol in sulfuric acid Torn RD, Nathanson GM
8070 - 8077	Quadratic coupled-cluster doubles: Implementation and assessment of perfect pairing optimized geometries Byrd EFC, Van Voorhis T, Head-Gordon M
8078 - 8085	QM/MM simulations for Diels-Alder reactions in water: Contribution of enhanced hydrogen bonding at the transition state to the solvent effect Chandrasekhar J, Shariffskul S, Jorgensen WL
8086 - 8095	Primary and secondary dissociation from allyl iodide excited at 193 nm: Centrifugal effects in the unimolecular dissociation of the allyl radical Szpunar DE, Morton ML, Butler LJ, Regan PM
8096 - 8099	Fluctuations and local symmetry in single-molecule rhodamine 6G Raman scattering on silver nanocrystal aggregates Bosnick KA, Jiang J, Brus LE
8100 - 8107	A perturbative approach to vibrational predissociation rates: Application to ArHF Tannenbaum E, Higgins KJ, Klemperer W, Segev B, Heller EJ
8108 - 8116	Spin-orbit coupling and conical intersections. IV. A perturbative determination of the electronic energies, derivative couplings, and a rigorous diabatic representation near a conical intersection. The general case Matsika S, Yarkony DR
8117 - 8124	Modeling kinetic shifts for tight transition states in threshold collision-induced dissociation. Case study: Phenol cation Muntean F, Armentrout PB
8125 - 8131	Optimal dynamic discrimination of similar molecules through quantum learning control Li BQ, Turinici G, Ramakrishna V, Rabitz H
8132 - 8135	On the relation between the semiclassical initial value representation and an exact quantum expansion in time-dependent coherent states Miller WH
8136 - 8141	A self-consistent charge-embedding methodology for ab initio quantum chemical cluster modeling of ionic solids and surfaces: Application to the (001) surface of hematite (alpha-Fe2O3) Batista ER, Friesner RA
8142 - 8147	Reaction of metastable Ar(P-3(2)) and Kr(P-3(2)) atoms with water vapor: Excitation functions for electronic quenching collisions Mueller DR, Krenos J
8148 - 8160	Quasiclassical trajectory study of energy and angular distributions for the H+CO2 -> OH+CO reaction Troya D, Lakin MJ, Schatz GC, Harding LB
8161 - 8171	STM images and chemisorption bond parameters of acetylene, ethynyl, and dicarbon chemisorbed on copper Olsson FE, Persson M, Lorente N, Lauhon LJ, Ho W
8172 - 8175	Vibrational relaxation of cyanide on copper surfaces: Can metal d-bands influence vibrational energy transfer? Matranga C, Wehrenberg BL, Guyot-Sionnest P
8176 - 8181	Activated dynamics across aperiodic stochastic potentials Shepherd TD, Hernandez R
8182 - 8188	Ab initio potential energy surface and vibrational energies of H3O+ and its isotopomers Huang XC, Carter S, Bowman JM
8189 - 8196	Proton-coupled electron transfer involving Tyrosine Z in photosystem II Kuhne H, Brudvig GW
8197 - 8205	An AC-STM study of mineral sulfides and the tip induced oxidation of PbS Blum AS, Schafer AJD, Engel T
8206 - 8210	Surface electronic excited state on Si(100): Structure, energetics, lifetime, and role in chemical reactions Hess JS, Doren DJ
8211 - 8222	Formic acid adsorption on anatase TiO2(001)-(1x4) thin films studied by NC-AFM and STM Tanner RE, Sasahara A, Liang Y, Altman EI, Onishi H
8223 - 8232	Simulation and theory of self-assembled networks: Ends, junctions, and loops Kindt JT
8233 - 8239	Dissociative grazing scattering of H-2(+) ions from metal surfaces Wojciechowski I, Medvedeva M, Garrison BJ, Ferleger VK, Heiland W
8240 - 8247	Evaluation of quantum correlation functions from classical data Kim H, Rossky PJ
8248 - 8257	The adsorption dynamics of molecular methane, propane, and neopentane on Pd(111): Theory and experiment Kao CL, Madix RJ
8258 - 8264	Measuring the site-specific reactivity of impurities: The pronounced effect of dissolved oxygen on silicon etching Garcia SP, Bao HL, Manimaran M, Hines MA
8265 - 8270	On the detection of chemically-induced hot electrons in surface processes: from X-ray edges to schottky barriers Gadzuk JW
8271 - 8277	Semiclassical molecular dynamics simulations of the excited state photodissociation dynamics of H2O in the A(1)B(1) band Wu YH, Batista VS
8278 - 8287	Conducting pathways in organic solids: A phenalenyl-based neutral radical of low conductivity Chi X, Itkis ME, Reed RW, Oakley RT, Cordes AW, Haddon RC
8288 - 8292	Band electronic structure of one- and two-dimensional pentacene molecular crystals Haddon RC, Chi X, Itkis ME, Anthony JE, Eaton DL, Siegrist T, Mattheus CC, Palstra TTM
8293 - 8301	Collisions of slow polyatomic ions with surfaces: Dissociation and chemical reactions of CD5+, CD4+center dot, CD3+, and their isotopic variants on room-temperature and heated carbon surfaces Roithova J, Zabka J, Dolejsek Z, Herman Z
8302 - 8305	Dependence of folding rates on protein length Li MS, Klimov DK, Thirumalai D
8306 - 8312	Traversal times for resonant tunneling Peskin U, Galperin M, Nitzan A
8313 - 8317	On the temperature dependence of molecular line shapes due to linearly coupled phonon bands Jang SJ, Cao JS, Silbey RJ
8318 - 8325	Simulation of anisotropic particle shape development during 2D transformation Weinberg MC, Birnie DP, Farias VF
8326 - 8337	A diagrammatic formulation of the kinetic theory of fluctuations in equilibrium classical fluids. I. The fluctuation basis and the cluster properties of associated functions Andersen HC
8338 - 8341	Avoided crossings in the interaction of a Xe Rydberg atom with a metal surface Oubre C, Nordlander P, Dunning FB
8342 - 8348	The effects of lattice motion on Eley-Rideal and hot atom reactions: Quasiclassical studies of hydrogen recombination on Ni(100) Guvenc ZB, Sha XW, Jackson B
8349 - 8353	Molecular dynamics simulations of the influence of surface temperature on the trapping of methane on iridium single-crystalline surfaces Sitz GO, Mullins CB
8354 - 8359	Controlling the short-range order and packing densities of many-particle systems Torquato S, Stillinger FH
8360 - 8366	Adsorption dynamics and desorption kinetics of argon and methane on MgO(100) Dohnalek Z, Smith RS, Kay BD
8367 - 8375	Atomistic simulations of CO2 and N-2 adsorption in silica zeolites: The impact of pore size and shape Goj A, Sholl DS, Akten ED, Kohen D
8376 - 8381	Finite temperature behavior of H+(H2O)(6) and H+(H2O)(8) Christie RA, Jordan KD
8382 - 8389	Multiple quantum C-13 NMR spectroscopy in solids under high-speed magic-angle spinning Oyler NA, Tycko R
8390 - 8398	Monte Carlo evaluation of forward-backward semiclassical correlation functions with a quantized coherent state density Makri N
8399 - 8406	Comparison of the interactions of XeF2 and F-2 with Si(100)(2 x 1) Holt JR, Hefty RC, Tate MR, Ceyer ST
8407 - 8414	Kinetic control of surface reactions: Regioselectivity in the reaction of 2-methylcyclopropylmethanol on Mo(110)-(6x1)-O Kretzschmar I, Friend CM
8415 - 8421	Proton-coupled electron transfer in DNA-acrylamide complexes Carra C, Iordanova N, Hammes-Schiffer S
8422 - 8428	Test of approximations to surface motion in gas-surface dynamics: Linear versus quadratic coupling for T-s=0 K Wang ZS, Darling GR, Jackson B, Holloway S
8429 - 8436	Incorporating molecular scale structure into the van der Waals theory of the liquid-vapor interface Katsov K, Weeks JD
8437 - 8448	Preparation of highly ordered vanadium-substituted MCM-41: Stability and acidic properties Lim S, Haller GL
8449 - 8455	A centroid molecular dynamics approach for nonadiabatic dynamical processes in condensed phases: The spin-boson case Liao JL, Voth GA
8456 - 8465	Alkali metal modification of the Mo(100) reconstruction Hildner ML, Estrup PJ
8466 - 8470	The I(P-2(1/2))-I(P-2(1/2)) contact pair emission in condensed media: A molecular spring-gauge for cavity sizing Karavitis M, Apkarian VA
8471 - 8478	Hopping and jumping between potential energy surfaces Heller EJ, Segev B, Sergeev AV
8479 - 8483	Rate constant turnovers: Energy spacings and mixings Kosloff R, Ratner MA