Journal of Chemical Physics

Journal of Chemical Physics, Vol.111, No.3 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (63 articles)

789 - 791	Correlation effect in spectral line shape from the Doppler to the collision regime Lance B, Robert D
792 - 795	Wavelength-resolved stimulated photon echoes: Direct observation of ultrafast intramolecular vibrational contributions to electronic dephasing Book LD, Scherer NF
796 - 803	Nonequilibrium distribution function formalism for diffusion-influenced bimolecular reactions: Beyond the superposition approximation Sung J, Lee S
804 - 815	Nonequilibrium distribution function theory of diffusion-influenced reversible energy-transfer reactions Sung JY, Chi JH, Lee S
816 - 826	Learning to interpolate molecular potential energy surfaces with confidence: A Bayesian approach Bettens RPA, Collins MA
827 - 832	Size-extensive calculations of static structure factors from the coupled cluster singles and doubles model Watanabe N, Ten-no S, Pal S, Iwata S, Udagawa Y
833 - 841	A formal method for solving the stationary BBGKY hierarchy for a classical inhomogeneous fluid Paine GH
842 - 848	Calculation of frequency-dependent second hyperpolarizabilities for electric field induced second harmonic generation in the second-order Moller-Plesset perturbation theory Kobayashi T, Sasagane K, Aiga F, Yamaguchi K
849 - 858	Comparison of methods for calculating the properties of intramolecular hydrogen bonds. Excited state proton transfer Kar T, Scheiner S, Cuma M
859 - 874	Geometric investigation of low-dimensional manifolds in systems approaching equilibrium Davis MJ, Skodje RT
875 - 884	Finite field treatment of vibrational polarizabilities and hyperpolarizabilities: On the role of the Eckart conditions, their implementation, and their use in characterizing key vibrations Luis JM, Duran M, Andres JL, Champagne B, Kirtman B
885 - 892	Accurate dipole moments from Hartree-Fock calculations by means of class IV charges Li JB, Xing JH, Cramer CJ, Truhlar DG
893 - 910	Total energy partitioning within a one-electron formalism: A Hamilton population study of surface-CO interaction in the c(2 x 2)-CO/Ni(100) chemisorption system Glassey WV, Papoian GA, Hoffmann R
911 - 915	Kinetic energy density dependent approximations to the exchange energy Ernzerhof M, Scuseria GE
916 - 922	Transition probability due to a conical intersection: On the role of the initial conditions and of the geometric setup of the crossing surfaces Ferretti A, Lami A, Villani G
923 - 930	The photodissociation of carbonyl cyanide CO(CN)(2) at 193 nm studied by photofragment translational energy spectroscopy Scheld HA, Furlan A, Huber JR
931 - 937	Laser excitation and photoionization spectroscopy of the AO(+) and B1 states of indium monoiodide: Ground state dissociation energy and photodissociation yield of In(6s S-2(1/2)) King KK, Herring CM, Eden JG
938 - 949	Competitive fragmentation and electron loss kinetics of photoactivated silver cluster anions: Dissociation energies of Ag-n(-) (n=7-11) Shi Y, Spasov VA, Ervin KM
950 - 958	The electronic spectrum, molecular structure, and oscillatory fluorescence decay of jet-cooled germylidene (H2C = Ge-74), the simplest unsaturated germylene Hostutler DA, Smith TC, Li HY, Clouthier DJ
959 - 968	The decay dynamics of photoexcited rare gas cluster ions Jones AB, Jukes PR, Stace AJ
969 - 972	Thermodynamic investigation of the AlNC and AlCN isomers by Knudsen cell mass spectrometry Meloni G, Gingerich KA
973 - 980	The He-LiH potential energy surface revisited. I. An interpolated rigid rotor surface Taylor BK, Hinde RJ
981 - 987	Spectroscopic characterization of excited Ca(4s4d delta D-3(J))RG((3)Delta(1,2)) states (RG=Ar, Kr, Xe): No "heavy-atom" mixing of RG(nd delta) character into the wave functions Leung AWK, Kaup JG, Bellert D, McCaffrey JG, Breckenridge WH
988 - 996	Quantum mechanical study on energy dependence of probabilities of nonreactive vibrational transitions, atom exchange reaction, and dissociation in a collinear He+H-2(+) collision Onda K, Sakimoto K
997 - 1007	A three-dimensional potential energy surface for He+Cl-2 (B (3)Pi(0u+)): Ab initio calculations and a multiproperty fit Williams J, Rohrbacher A, Seong J, Marianayagam N, Janda KC, Burcl R, Szczesniak MM, Chalasinski G, Cybulski SM, Halberstadt N
1008 - 1016	The vibrational energy pattern in acetylene. V. (C2H2)-C-13 Di Lonardo G, Fusina L, Venuti E, Johns JWC, El Idrissi MI, Lievin J, Herman M
1017 - 1021	The relaxation from linear to triangular Ag-3 probed by femtosecond resonant two-photon ionization Leisner T, Vajda S, Wolf S, Woste L, Berry RS
1022 - 1034	Measurement of the HD(v '=2,J '=3) product differential cross section for the H+D-2 exchange reaction at 1.55 +/- 0.05 eV using the photoloc technique Fernandez-Alonso F, Bean BD, Zare RN
1035 - 1042	Differential cross sections for H+D-2 -> HD(v(')=1, J(')=1,5,8)+D at 1.7 eV Fernandez-Alonso F, Bean BD, Zare RN
1043 - 1048	A comment on dielectric hole burning Wagner A, Kliem H
1049 - 1059	A simple model of tracer-diffusion of nonspherical Brownian particles Guevara-Rodriguez FD, Medina-Noyola M
1060 - 1067	Intermediate-time tracer-diffusion of nonspherical Brownian particles Guevara-Rodriguez FD, Medina-Noyola M
1068 - 1075	Dynamic correlation effect in reversible diffusion-influenced reactions: Brownian dynamics simulation in three dimensions Kim H, Yang M, Shin KJ
1076 - 1095	A first-principle computation of the thermodynamics of glasses Mezard M, Parisi G
1096 - 1103	Simulation studies of liquid ammonia by classical ab initio, classical, and path-integral molecular dynamics Diraison M, Martyna GJ, Tuckerman ME
1104 - 1108	Identifying physical clusters in bubble nucleation Kusaka I, Oxtoby DW
1109 - 1116	A primitive model of a charged hard ellipsoidal fluid Rickayzen G
1117 - 1125	Molecular dynamics simulation of formamide in water using density functional theory and classical potentials Chalmet S, Ruiz-Lopez MF
1126 - 1136	Revisiting angular jump models of molecular reorientations in viscous liquids Diezemann G, Sillescu H
1137 - 1157	Multidimensional solvation dynamical effects on quantum yields in model triad systems Okada A, Bandyopadhyay T
1158 - 1168	Ultraviolet-laser induced desorption of NO from the Cr2O3(0001) surface: Involvement of a precursor state? Wilde M, Seiferth O, Al-Shamery K, Freund HJ
1169 - 1174	Adsorption of fluoroform CHF3 on ice Ih(0001): Structure and vibrations Graham AP, Menzel A, Toennies JP
1175 - 1184	Molecular processes of adsorption and desorption of alkanethiol monolayers on Au(111) Kondoh H, Kodama C, Sumida H, Nozoye H
1185 - 1190	Femtosecond probing of exciton relaxation and transport dynamics in polybithiophene Bock AM, Schmid D, Kryschi C
1191 - 1194	Energy transfer with migration. Generalization of the Yokota-Tanimoto model for any kind of multipole interaction Martin IR, Rodriguez VD, Rodriguez-Mendoza UR, Lavin V, Montoya E, Jaque D
1195 - 1208	Discrete dipole approximation for ultraviolet-visible extinction spectra simulation of silver and gold colloids Felidj N, Aubard J, Levi G
1209 - 1222	Diffusion mechanisms of normal alkanes in faujasite zeolites Clark LA, Ye GT, Gupta A, Hall LL, Snurr RQ
1223 - 1230	Molecular dynamics simulations of simple dipolar liquids in spherical cavity: Effects of confinement on structural, dielectric, and dynamical properties Senapati S, Chandra A
1231 - 1239	Motion of interlamellar hydrated sodium ions in layered Cd0.75PS3Na0.5(H2O)(2) Arun N, Jeevanandam P, Vasudevan S, Ramanathan KV
1240 - 1254	Monolayer adsorption of nonrandom mixtures Hocker T, Aranovich GL, Donohue MD
1255 - 1264	Electron dynamics in gold and gold-silver alloy nanoparticles: The influence of a nonequilibrium electron distribution and the size dependence of the electron-phonon relaxation Link S, Burda C, Wang ZL, El-Sayed MA
1265 - 1272	Effect of the transient mobility in two-dimensional continuum deposition Belardinelli RE, Linares DH, Pereyra VD
1273 - 1280	Molecular dynamics simulation of the rheological and dynamical properties of a model alkane fluid under confinement Cui ST, Cummings PT, Cochran HD
1281 - 1287	Constant surface tension simulations of lipid bilayers: The sensitivity of surface areas and compressibilities Feller SE, Pastor RW
1288 - 1292	A high resolution electron energy loss spectroscopy study of the Fermi resonance of CO2 adsorbed on a Ag(110)/CO3 layer Krenzer B, Constant L, Conrad H
1293 - 1301	Vapor-liquid equilibria of vibrating square well chains Hu LG, Rangwalla H, Cui JY, Elliott JR
1302 - 1308	Conformational properties of polymer chains in the theta region Rubio AM, Freire JJ, Yong CW, Clarke JHR
1309 - 1324	Density functional study of intramolecular ferromagnetic interaction through m-phenylene coupling unit. III. Possibility of high-spin polymer Mitani M, Takano Y, Yoshioka Y, Yamaguchi K
1325 - 1334	Molecular dynamics simulations of dielectric relaxation of concentrated polymer solutions Kaznessis YN, Hill DA, Maginn EJ
1335 - 1336	Tunneling manifold of two noninteracting NH4 torsional oscillators in polycrystalline ammonium iodide Choi C, Peternelj J, Damyanovich A, Pintar MM
1337 - 1338	Thermochemistry of ZnCl(g) Hildenbrand DL, Lau KH, Roos JW
1339 - 1339	Finite-size scaling of helix-coil transitions in poly-alanine studied by multicanonical simulations (vol 110, pg 1267, 1999) Hansmann UHE, Okamoto Y
1340 - 1340	Comparison of thermal and photochemical behavior of O-2 chemisorbed on Pt(335) (vol 110, pg 6939, 1999) Heyd DV, Scharff RJ, Yates JT