Journal of Chemical Physics

Journal of Chemical Physics, Vol.111, No.22 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (55 articles)

9905 - 9907	Electron-induced "localized atomic reaction" (LAR): Chlorobenzene adsorbed on Si(111) 7x7 Lu PH, Polanyi JC, Rogers D
9908 - 9917	General relationship between complex impedance and linear stability in electrochemical systems Naito M, Tanaka N, Okamoto H
9918 - 9923	Spin-spin model for two-level system/bath problems: A numerical study Golosov AA, Tsonchev SI, Pechukas P, Friesner RA
9924 - 9931	Application of interpolated potential energy surfaces to quantum reactive scattering Collins MA, Zhang DH
9932 - 9943	A diffusion equation for Brownian motion with arbitrary frictional coefficient: Application to the turnover problem Battezzati M
9944 - 9951	A single Lanczos propagation method for calculating transition amplitudes Chen RQ, Guo H
9952 - 9957	Reaction dynamics on a thermally fluctuating potential Berezhkovskii AM, Szabo A, Weiss GH, Zhou HX
9958 - 9964	On the direct evaluation of the equilibrium distribution of clusters by simulation Kusaka I, Oxtoby DW, Wang ZG
9965 - 9970	Comparison between two methods for mapping fluctuations in a simulation cell onto a macrovolume Reiss H, Bowles RK
9971 - 9981	Histogram filtering: A technique to optimize wave functions for use in Monte Carlo simulations Snajdr M, Dwyer JR, Rothstein SM
9982 - 9999	A consistent third-order propagator method for electronic excitation Trofimov AB, Stelter G, Schirmer J
10000 - 10007	Interfacing relativistic and nonrelativistic methods. III. Atomic 4-spinor expansions and integral approximations Dyall KG, Enevoldsen T
10008 - 10020	Resonant degenerate four-wave mixing spectroscopy of transitions with degenerate energy levels: Saturation and polarization effects Reichardt TA, Lucht RP
10021 - 10033	Joint local- and normal-mode studies of the overtone spectra of the methyl halides: CH3F, CH3Cl, CH3Br, CD3Br, and CH3I Law MM
10034 - 10045	Theory and ab initio calculations of 2p photoabsorption spectra: The lowest Rydberg resonances in HCl Fink RF, Kivilompolo M, Aksela H
10046 - 10052	Energetic and structural features of the CH4+O(P-3)-> CH3+OH abstraction reaction: Does perturbation theory from a multiconfiguration reference state (finally) provide a balanced treatment of transition states? Roberto-Neto O, Machado FBC, Truhlar DG
10053 - 10060	An empirical potential energy surface for the Ne-OH/D complexes Lee HS, McCoy AB, Harding LB, Carter CC, Miller TA
10061 - 10068	Molecular-dynamics study of rotational alignment of NO+ drifting in helium-velocity and angular momentum distribution functions Baranowski R, Thachuk M
10069 - 10076	Vibrational excitation in He+(H2O)(11) collisions: Quantum calculations and experiment Brudermann J, Buck U, Fredj E, Gerber RB, Ratner MA
10077 - 10087	Water dimer to pentamer with an excess electron: Ab initio study Kim J, Suh SB, Kim KS
10088 - 10092	Vibronic interactions in the C-36 tri- and tetra-anions Yoshizawa K, Tachibana M, Yamabe T
10093 - 10098	Photoionization-efficiency spectrum and ionization energy of C2H5SCl Cheng BM, Chew EP, Liu CP, Yu JSK, Yu CH
10099 - 10107	The effect of intermolecular interactions on the electric properties of helium and argon. I. Ab initio calculation of the interaction induced polarizability and hyperpolarizability in He-2 and Ar-2 Hattig C, Larsen H, Olsen J, Jorgensen P, Koch H, Fernandez B, Rizzo A
10108 - 10118	The effect of intermolecular interactions on the electric properties of helium and argon. II. The dielectric, refractivity, Kerr, and hyperpolarizability second virial coefficients Koch H, Hattig C, Larsen H, Olsen J, Jorgensen P, Fernandez B, Rizzo A
10119 - 10125	An efficient Brownian dynamics method for calculating the time-dependent rate coefficients of diffusion-influenced reactions Yang S, Kim J, Lee S
10126 - 10136	Quantum dynamics with dissipation: A treatment of dephasing in the stochastic Schrodinger equation Makarov DE, Metiu H
10137 - 10147	Stochastic Schrodinger equation. II. A study of the coherence seen in pump-probe experiments that use a strong pump laser Makarov DE, Metiu H
10148 - 10158	Electronic structure and magnetic properties of high-spin octahedral Co(II) complexes: Co(II)(acac)(2)(H2O)(2) Lohr LL, Miller JC, Sharp RR
10159 - 10170	Relations among the modern theories of diffusion-influenced reactions. I. Reduced distribution function theory versus memory function theory of Yang, Lee, and Shin Sung J, Lee S
10171 - 10176	Molecular-level description of temperature and pressure effects on the viscosity of water Cho CH, Urquidi J, Robinson GW
10177 - 10182	On the origin of dynamic heterogeneities in glass-forming liquids Qian J, Hentschke R, Heuer A
10183 - 10191	Ionization reactions of ion complexes in mesoscopic water clusters Consta S, Kapral R
10192 - 10201	Spectroscopy of O-3 trapped in rare gas matrices. I. Theoretical model for low-lying vibrational levels Dahoo PR, Lakhlifi A, Chabbi H
10202 - 10209	Spectroscopy of O-3 trapped in rare gas matrices. II. Vibrational energies and transition moments of low-lying levels Chabbi H, Dahoo PR, Lakhlifi A
10210 - 10216	Dynamic properties of simple liquids: Dependence on the softness of the potential core Anento N, Padro JA, Canales M
10217 - 10228	Optical excitations and coupling constants in FeO42- and CrO44-complexes in oxides: Density functional study Wissing K, Barriuso MT, Aramburu JA, Moreno M
10229 - 10235	Equation of state, phase transition, decomposition of beta-HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) at high pressures Yoo CS, Cynn H
10236 - 10241	Improvement on Lennard-Jones-Devonshire theory for predicting liquid-solid phase transition Modarress H, Ahmadnia E, Mansoori GA
10242 - 10247	Clathrate hydrates in the system H2O-Ar at pressures and temperatures up to 30 kbar and 140 degrees C Lotz HT, Schouten JA
10248 - 10260	Simulation of crystal growth from Lennard-Jones solutions Huitema HEA, van Hengstum B, van der Eerden JP
10261 - 10274	Interaction of gas-phase atomic chlorine with a silicon surface: Reactions on bare and hydrogen-chemisorbed surface sites Ree J, Shin HK
10275 - 10286	Chemical potentials and potential distributions of inclusion gas in quenched-annealed random porous media Fernaud MJ, Lomba E, Lee LL
10287 - 10302	Photochemistry of disilane adsorbed on a H terminated Si(100) surface Wright S, Hasselbrink E
10303 - 10313	Glancing incidence scattering of hyperthermal He+, Xe+, and C-60(+) from graphite: Angular and velocity distributions of neutrals Hillenkamp M, Pfister J, Kappes MM, Webb RP
10314 - 10320	Rupture luminescence from natural fibers Li W, Haneman D
10321 - 10329	Langmuir monolayers as disordered solids: Disorder and elastic fluctuations in mesophases Luty T, Eckhardt CJ, Lefebvre J
10330 - 10337	Size and number density of precrystalline aggregates in lysozyme crystallization process Tanaka S, Ito K, Hayakawa R, Ataka M
10338 - 10346	Phase separation of weakly ionized polymer gels during shrinking phase transition Bai G, Suzuki A
10347 - 10353	Semiempirical method for calculating structure and band gap of semiconducting polymers Yoder G, Dickerson BK, Chen AB
10354 - 10361	The spin signature of charged photoexcitations in carbazolyl substituted polydiacetylene Brabec CJ, Johansson H, Cravino A, Sariciftci NS, Comoretto D, Dellepiane G, Moggio I
10362 - 10370	Diffusion-stress relations in polymer mixtures Curtiss CF, Bird RB
10371 - 10374	Polymer translocation through a hole Muthukumar M
10375 - 10380	On the role of conformational geometry in protein folding Du R, Pande VS, Grosberg AY, Tanaka T, Shakhnovich E
10381 - 10388	Monte Carlo and numerical self-consistent field study of end-tethered polymers in good solvent Pepin MP, Whitmore MD
10389 - 10390	A multilayer theory for interfacial properties of systems containing hydrogen bonding molecules. II. A simple, yet exact form for segment potentials arising from association interactions Suresh SJ, Naik VM