Journal of Chemical Physics

Journal of Chemical Physics, Vol.121, No.18 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (65 articles)

8671 - 8675	Enhanced infrared absorption spectra of self-assembled alkanethiol monolayers using the extraordinary infrared transmission of metallic arrays of subwavelength apertures Rodriguez KR, Shah S, Williams SM, Teeters-Kennedy S, Coe JV
8676 - 8679	Hydrophobic hydration of alkanes: Its implication for the property of amorphous solid water Souda R
8680 - 8686	On the electron tunneling in molecules: A generalized orthogonalization procedure for finding tunneling orbitals Zheng XH, Georgievskii Y, Stuchebrukhov AA
8687 - 8698	An analysis of core effects on shape-consistent pseudopotentials Fromager E, Maron L, Teichteil C, Heully JL, Faegri K, Dyall K
8699 - 8710	Feature activated molecular dynamics: An efficient approach for atomistic simulation of solid-state aggregation phenomena Prasad M, Sinno T
8711 - 8715	Modified quantum trajectory dynamics using a mixed wave function representation Garashchuk S, Rassolov VA
8716 - 8730	Reducing a chemical master equation by invariant manifold methods Roussel MR, Zhu R
8731 - 8741	Time-dependent exchange-correlation current density functionals with memory Kurzweil Y, Baer R
8742 - 8747	Model for small-sample bias of free-energy calculations applied to Gaussian-distributed nonequilibrium work measurements Wu D, Kofke DA
8748 - 8754	Coherent population transfer in molecules coupled with a dissipative environment by intense ultrashort chirped pulse. II. A simple model Fainberg BD, Gorbunov VA
8755 - 8768	Well-balanced basis sets for second-order Moller-Plesset treatment of argon-aromatic molecule complexes Makarewicz J
8769 - 8774	Collision photography: Polarization imaging of atom-molecule collisions Goldstein R, Figl C, Grosser J, Hoffmann O, Jungen M, Stalder J, Rebentrost F
8775 - 8781	Characteristic of structures and pi-hydrogen bond of dimers C2H4-nFn-HF (n=0,1,2) Li RY, Li ZR, Wu D, Li Y, Chen W, Sun CC
8782 - 8791	The one-particle Green's function method in the Dirac-Hartree-Fock framework. II. Third-order valence ionization energies of the noble gases, CO and ICN Pernpointner M
8792 - 8799	Molecular elimination in photolysis of fluorobenzene at 193 nm: Internal energy of HF determined with time-resolved Fourier-transform spectroscopy Wu CY, Wu YJ, Lee YP
8800 - 8813	Thermochemistry of disputed soot formation intermediates C4H3 and C4H5 Wheeler SE, Allen WD, Schaefer HF
8814 - 8830	Density-functional and electron correlated study of five linear birefringences - Kerr, Cotton-Mouton, Buckingham, Jones, and magnetoelectric - in gaseous benzene Rizzo A, Cappelli C, Jansik B, Jonsson D, Salek P, Coriani S, Agren H
8831 - 8845	Ab initio direct dynamics trajectory simulation of C2H5F -> C2H4+HF product energy partitioning Sun LP, Hase WL
8846 - 8853	Photoelectron kinetic energy dependence in near threshold ionization of NO from A state studied by time-resolved photoelectron imaging Tsubouchi M, Suzuki T
8854 - 8860	Evaluation of canonical and microcanonical nonadiabatic reaction rate constants by using the Zhu-Nakamura formulas Zhao Y, Mil'nikov G, Nakamura H
8861 - 8868	Potential energy surface for H2O((3)A'') from accurate ab initio data with inclusion of long-range interactions Brandao J, Mogo C, Silva BC
8869 - 8873	Polarization quantum beat spectroscopy of HCF((A)over-tilde(1)A''). I. F-19 and H-1 hyperfine structure and Zeeman effect Fan HY, Ionescu I, Xin J, Reid SA
8874 - 8879	Polarization quantum beat spectroscopy of HCF((A)over-tilde(1)A('')). II. Renner-Teller and spin-orbit mixing in the simplest singlet carbene Ionescu I, Fan HY, Ionescu E, Reid SA
8880 - 8886	Spectroscopy of Cs attached to helium nanodroplets Bunermann O, Mudrich M, Weidemuller M, Stienkemeier F
8887 - 8896	Ultrafast vibrational spectroscopy of water and aqueous N-methylacetamide: Comparison of different electronic structure/molecular dynamics approaches Schmidt JR, Corcelli SA, Skinner JL
8897 - 8900	Spectral diffusion in a fluctuating charge model of water Corcelli SA, Lawrence CP, Asbury JB, Steinel T, Fayer MD, Skinner JL
8901 - 8910	Physics of single molecule fluctuations in surface enhanced Raman spectroscopy active liquids Maher RC, Dalley M, Le Ru EC, Cohen LF, Etchegoin PG, Hartigan H, Brown RJC, Milton MJT
8911 - 8915	Fragility by elastic incoherent neutron scattering Magazu S, Maisano G, Migliardo F
8916 - 8923	Crossover model for the work of critical cluster formation in nucleation theory Kalikmanov VI
8924 - 8928	Kinetics and mechanisms of crystal growth and diffusion in a glass-forming liquid Nascimento MLF, Ferreira EB, Zanotto ED
8929 - 8955	Phase transition dynamics of liquid phase precipitation from a supersaturated gas mixture Pines V, Zlatkowski M, Chait A
8956 - 8959	Constant-volume heat capacity in a near-critical fluid from Monte Carlo simulations Daub CD, Camp PJ, Patey GN
8960 - 8967	Dynamics of glass-forming liquids. VIII. Dielectric signature of probe rotation and bulk dynamics in branched alkanes Shahriari S, Mandanici A, Wang LM, Richert R
8968 - 8972	Three-variable reversible Gray-Scott model Mahara H, Suematsu NJ, Yamaguchi T, Ohgane K, Nishiura Y, Shimomura M
8973 - 8982	Structural and electronic evolution of the As(OH)(3) molecule in high temperature aqueous solutions: An x-ray absorption investigation Testemale D, Hazemann JL, Pokrovski GS, Joly Y, Roux J, Argoud R, Geaymond O
8983 - 8989	The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties: The case of doped skutterudite systems Bertini L, Gatti C
8990 - 8996	Local atomic structures of palladium nanowire Hui L, Wang BL, Wang JL, Wang GH
8997 - 9017	Stochastic dynamics of adhesion clusters under shared constant force and with rebinding Erdmann T, Schwarz US
9018 - 9030	Low coverage spontaneous etching and hyperthermal desorption of aluminum chlorides from Cl-2/Al(111) Grassman TJ, Poon GC, Kummel AC
9031 - 9038	Electronic properties of silole-based organic semiconductors Risko C, Kushto GP, Kafati ZH, Bredas JL
9039 - 9042	Adsorption of acetic and trifluoroacetic acid on the TiO2(110) surface Foster AS, Nieminen RM
9043 - 9049	Internal pressure and surface tension of bare and hydrogen coated silicon nanoparticles Hawa T, Zachariah MR
9050 - 9057	Nanosecond freezing of water under multiple shock wave compression: Optical transmission and imaging measurements Dolan DH, Gupta YM
9058 - 9065	Adsorption from alkane plus perfluoroalkane mixtures at fluorophobic and fluorophilic surfaces. II. Crossover from critical adsorption to complete wetting Bowers J, Zarbakhsh A, Querol A, Christenson HK, McLure IA, Cubitt R
9066 - 9076	Orientational structures in confined smectic-C domains in Langmuir monolayers Reigada R, Abad E, Crusats J, Claret J, Ignes-Mullol J, Sagues F
9077 - 9086	Torsion-induced phase transitions in fluids confined between chemically decorated substrates Sacquin-Mora S, Fuchs AH, Schoen M
9087 - 9097	Dynamics of surface water in ZrO2 studied by quasielastic neutron scattering Mamontov E
9098 - 9102	Computer simulation of the adsorption of ethanethiol in silicalite of MFI and MOR Ju SG, Zeng YP, Yao HQ
9103 - 9110	Dynamic light scattering by optically anisotropic colloidal particles in polyacrylamide gels Diaz-Leyva P, Perez E, Arauz-Lara JL
9111 - 9115	Translational friction coefficients for cylinders of arbitrary axial ratios estimated by Monte Carlo simulation Hansen S
9116 - 9122	Electrophoresis of a bead-rod chain through a narrow slit: A Brownian dynamics study Kim SH, Panwar AS, Kumar S, Ahn KH, Lee SJ
9123 - 9130	A computer simulation study of the influence of a liquid crystal medium on polymerization Berardi R, Micheletti D, Muccioli L, Ricci M, Zannoni C
9131 - 9139	Calculation of flexoelectric coefficients for a nematic liquid crystal by atomistic simulation Cheung DL, Clark SJ, Wilson MR
9140 - 9146	Thermally induced sign change of Soret coefficient for dilute and semidilute solutions of poly(N-isopropylacrylamide) in ethanol Kita R, Kircher G, Wiegand S
9147 - 9155	The Kirkwood-Buff theory and the effect of cosolvents on biochemical reactions Shimizu S, Boon CL
9156 - 9165	Coarse-grained model for phospholipid/cholesterol bilayer Murtola T, Falck E, Patra M, Karttunen M, Vattulainen I
9166 - 9171	Structure formation in films of weakly charged block polyelectrolyte solutions Kyrylyuk AV, Fraaije JGEM
9172 - 9177	Ab initio study of cubyl chains and networks Valencia F, Romero AH, Kiwi M, Ramirez R, Toro-Labbe A
9178 - 9183	Sensitized phosphorescence of benzil-doped ladder-type methyl-poly(para-phenylene) Bagnich SA, Bassler H, Neher D
9184 - 9185	Misfolded free energy surface of a peptide with alpha beta beta motif (1PSV) using the generalized Born solvation model Pak Y, Kim E, Jang S
9186 - 9187	Ensemble of transition states for two-state protein folding from the eigenvectors of rate matrices Berezhkovskii A, Szabo A
9188 - 9190	Doppler-free two-photon excitation spectroscopy and the Zeeman effect of the 14(0)(1) band of the S-1 B-1(2u)<- S-0 (1)A(1g) transition of benzene-d6 Wang JG, Doi A, Kasahara S, Kato H, Baba M
9191 - 9192	Geometry relaxation effects for molecules as a result of binding with a positron Tachikawa M, Buenker RJ, Kimura M
9193 - 9194	Comment on "Quasielastic neutron scattering of two-dimensional water in a vermiculite clay" [J. Chem. Phys. 113, 2873 (2000)] and "A neutron spin-echo study of confined water" [J. Chem. Phys. 115, 11299 (2001)] Mamontov E
9195 - 9195	Response to Comment on "Quasielastic neutron scattering of two-dimensional water in a vermiculite clay" [J. Chem. Phys. 113, 2873 (2000)] and "A neutron spin-echo study of confined water" [J. Chem. Phys. 115, 11299 (2001)] Swenson J, Bergman R, Howells WS, Longeville S