Journal of Chemical Physics

Journal of Chemical Physics, Vol.109, No.23 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (50 articles)

10107 - 10110	Generalized adiabatic connection in density functional theory Yang WT
10111 - 10114	Defect evolution in ultrathin films of polystyrene-block-polymethylmethacrylate diblock copolymers observed by atomic force microscopy Hahm J, Lopes WA, Jaeger HM, Sibener SJ
10115 - 10117	Equilibration and sampling in molecular dynamics simulations of biomolecules Stella L, Melchionna S
10118 - 10125	Stochastic complexity and statistical mechanics Dewey TG
10126 - 10137	Subband analysis of molecular electronic transitions by nonlinear polarization spectroscopy in the frequency domain Beenken W, Ehlert J
10138 - 10141	Achieving constant pressure in molecular-dynamics simulations with constraint methods Wang JC, Fichthorn KA
10142 - 10147	Molecular polarizability and atomic properties: Density functional approach Itskowitz P, Berkowitz ML
10148 - 10158	Particle shape reconstruction by small-angle scattering: Integration of group theory and maximum entropy to multipole expansion method Spinozzi F, Carsughi F, Mariani P
10159 - 10168	Electronic structure of large systems: Coping with small gaps using the energy renormalization group method Baer R, Head-Gordon M
10169 - 10179	Nonequilibrium statistical thermodynamics: Nonequilibrium grand ensemble method for sheared dilute gases Farhat H, Eu BC
10180 - 10189	Improving virtual Kohn-Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities Tozer DJ, Handy NC
10190 - 10194	Microwave spectroscopy of the 2,4-pentadiynyl radical: H2C-C C-C CH Chen W, Novick SE, McCarthy MC, Thaddeus P
10195 - 10200	Fragmentation of ionized liquid helium droplets: A new interpretation Callicoatt BE, Forde K, Jung LF, Ruchti T, Janda KC
10201 - 10206	Infrared cavity ringdown spectroscopy of water clusters: O-D stretching bands Paul JB, Provencal RA, Chapo C, Petterson A, Saykally RJ
10207 - 10216	The structure of Ni-39 Parks EK, Kerns KP, Riley SJ
10217 - 10221	The near-infrared bands of NO2 observed by high-resolution Fourier-transform spectroscopy Orphal J, Dreher S, Voigt S, Burrows JP, Jost R, Delon A
10222 - 10226	Atomic and molecular collisions in pulsed laser fields Madsen DK, Xiao YW, Eno L
10227 - 10237	Quadrupolar spin relaxation of N-14 in NNO in collisions with various molecules Jameson CJ, ter Horst MA, Jameson AK
10238 - 10243	A classical dynamics study of the anisotropic interactions in NNO-Ar and NNO-Kr systems: Comparison with transport and relaxation data ter Horst MA, Jameson CJ
10244 - 10254	Structure and magnetic properties of benzyl, anilino, and phenoxyl radicals by density functional computations Adamo C, Subra R, Di Matteo A, Barone V
10255 - 10262	Accurate ab initio rovibronic spectrum of the X 1 Sigma(+)(g) and B 1 Sigma(+)(u) in Ar-2 Fernandez B, Koch H
10263 - 10272	Nuclear quadrupole coupling in Cl2C=CHCl and Cl2C=CH2: Evidence for systematic differences in orientations between internuclear and field gradient axes for terminal quadrupolar nuclei Kisiel Z, Bialkowska-Jaworska E, Pszczolkowski L
10273 - 10283	Accurate variational calculations and analysis of the HOCl vibrational energy spectrum Skokov S, Qi JX, Bowman JM, Yang CY, Gray SK, Peterson KA, Mandelshtam VA
10284 - 10292	Ab initio potential energy surface and rovibrational spectra of He-CO2 Yan GS, Yang MH, Xie DQ
10293 - 10310	Photoelectron spectroscopy, gas phase acidity, and thermochemistry of tert-butyl hydroperoxide: Mechanisms for the rearrangement of peroxyl radicals Clifford EP, Wenthold PG, Gareyev R, Lineberger WC, DePuy CH, Bierbaum VM, Ellison GB
10311 - 10315	Scaling properties of the nu(1) Raman active nitrate mode in doped ammonium and potassium nitrate crystals Li SL, Ma SG, Wu GZ
10316 - 10320	Valence bonds in solid hydrogen under pressure Vianna RO, Chacham H
10321 - 10330	Simulation of polymer melt intercalation in layered nanocomposites Lee JY, Baljon ARC, Loring RF, Panagiotopoulos AZ
10331 - 10338	Slow, steady discharge regime for concentrated lead-acid cells with planar, cylindrical, and spherical electrodes Yang YG, Saslow WM
10339 - 10349	Scattering and trapping dynamics of gas-surface interactions: Theory and experiments for the Xe-graphite system Nagard MB, Andersson PU, Markovic N, Pettersson JBC
10350 - 10360	Scattering and trapping dynamics of gas-surface interactions: Vibrational excitation of CF3Br on graphite Nagard MB, Markovic N, Pettersson JBC
10361 - 10371	Membrane stability under electrical stress: A nonlocal electroelastic treatment Partenskii MB, Dorman VL, Jordan PC
10372 - 10378	Protonation effects on the photophysical properties of poly(2,5-pyridine diyl) Monkman AP, Halim M, Samuel IDW, Horsburgh LE
10379 - 10389	Comparison of a combined quantum mechanics/interatomic potential function approach with its periodic quantum-mechanical limit: Proton siting and ammonia adsorption in zeolite chabazite Brandle M, Sauer J, Dovesi R, Harrison NM
10390 - 10399	Photoproducts ejected from liquid surfaces: The importance of photochemical, diffusional, kinetic, and surface structural effects Furlan A, Hall GE
10400 - 10408	One dimensional carrier trapping in the crystalline phase of a columnar liquid crystal Donovan KJ, Kreouzis T, Boden N, Clements J
10409 - 10418	Core hole effect in NEXAFS spectroscopy of polycyclic aromatic hydrocarbons: Benzene, chrysene, perylene, and coronene Oji H, Mitsumoto R, Ito E, Ishii H, Ouchi Y, Seki K, Yokoyama T, Ohta T, Kosugi N
10419 - 10429	Vibrational spectra of charged defects in a series of alpha,alpha ＇-dimethyl end-capped oligothiophenes induced by chemical doping with iodine Casado J, Hernandez V, Hotta S, Navarrete JTL
10430 - 10438	Unusual nonequilibrium effects during the growth of two-dimensional crystals at the solid-fluid interface Raudino A
10439 - 10445	Dynamics of polarization relaxation at solid-liquid interface Chandra A, Senapati S, Sudha D
10446 - 10455	Isomers of N2O3: Observation of trans-cis N2O3 in solid Ar Lee CL, Lee YP, Wang XF, Qin QZ
10456 - 10463	Orientational effects on low-energy modes in amorphous poly(ethylene terephthalate) fiber Kanaya T, Zorn R, Tsukushi I, Murakami S, Kaji K, Richter D
10464 - 10476	Microscopic theory of polymer-mediated interactions between spherical particles Chatterjee AP, Schweizer KS
10477 - 10488	Correlation effects in dilute particle-polymer mixtures Chatterjee AP, Schweizer KS
10489 - 10498	Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains Champagne B, Perpete EA, van Gisbergen SJA, Baerends EJ, Snijders JG, Soubra-Ghaoui C, Robins KA, Kirtman B
10499 - 10512	Density pair correlation functions for molecular liquids: Approximations for polymers Donley JP, Rajasekaran JJ, Liu AJ
10513 - 10520	Interchain interaction in a prototypical conjugated oligomer from polarized absorption at 4.2 K: alpha-sexithienyl single crystal Muccini M, Lunedei E, Taliani C, Beljonne D, Cornil J, Bredas JL
10521 - 10522	Relationships between surface tension and bulk properties of liquids: Organic liquids near 298 K Freeman GR, March NH
10523 - 10524	Comment on "A 250 GHz ESR study of o-terphenyl: Dynamic cage effects above T-c" Giordano M, Leporini D
10525 - 10526	Response to "Comment on ＇A 250 GHz ESR study of o-terphenyl dynamic cage effects above T-c" Earle KA, Moscicki JK, Polimeno A, Freed JH