Journal of Chemical Physics

Journal of Chemical Physics, Vol.112, No.9 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (62 articles)

3935 - 3937	Direct ab initio quantum scattering for the H-2+OH -> H+H2O reaction using Moller-Plesset fourth order perturbation theory Yu HG, Nyman G
3938 - 3941	Experimental evidence of laser cooling of room temperature trans-stilbene upon excitation to the S-1 state Warmuth C, Milota F, Kauffmann HF, Wadi H, Pollak E
3942 - 3944	Anion-anion pairing in concentrated aqueous lithium chloride solution Ansell S, Neilson GW
3945 - 3948	N 1s x-ray absorption study of the bonding interaction of bi-isonicotinic acid adsorbed on rutile TiO2(110) Persson P, Lunell S, Bruhwiler PA, Schnadt J, Sodergren S, O'Shea JN, Karis O, Siegbahn H, Martensson N, Bassler M, Patthey L
3949 - 3957	A "modified Lennard-Jones oscillator" model for diatom potential functions Hajigeorgiou PG, Le Roy RJ
3958 - 3963	Diagrammatic complete active space perturbation theory: Calculations on benzene, N-2, and LiF Finley JP, Witek HA
3964 - 3966	On the configurational temperature of simple fluids Baranyai A
3967 - 3979	Informational-statistical thermodynamics of a complex system Fonseca AF, Mesquita MV, Vasconcellos AR, Luzzi R
3980 - 3989	Semiclassical multistate Liouville dynamics in the adiabatic representation Donoso A, Martens CC
3990 - 3996	A heat capacity estimator for Fourier path integral simulations Neirotti JP, Freeman DL, Doll JD
3997 - 4003	Measurement and analysis of molecular hyperpolarizability in the two-photon resonance regime Berkovic G, Meshulam G, Kotler Z
4004 - 4013	Phase-space derivation of propensity rules for energy transfer processes between Born-Oppenheimer surfaces Segev B, Heller EJ
4014 - 4019	Electron correlation in chemical bonds Rassolov VA, Ratner MA, Pople JA
4020 - 4026	Simulation of delocalized exchange by local density functionals Becke AD
4027 - 4036	Spin-restricted open-shell coupled-cluster theory for excited states Szalay PG, Gauss J
4037 - 4044	Photophysics of O-2 excited by tunable laser radiation around 193 nm Bakker BLG, Parker DH
4045 - 4052	Ab initio study of the hydroxide ion-water clusters: An accurate determination of the thermodynamic properties for the processes nH(2)O+OH--> HO-(H2O)(n) (n=1-4) Pliego JR, Riveros JM
4053 - 4063	Anharmonic force field, vibrational energies, and barrier to inversion of SiH3- Aarset K, Csaszar AG, Sibert EL, Allen WD, Schaefer HF, Klopper W, Noga J
4064 - 4068	Detection of the millimeter wave spectra of the weakly bound complexes He-3-CO and He-4-CO Surin LA, Roth DA, Pak I, Dumesh BS, Lewen F, Winnewisser G
4069 - 4075	Theoretical and experimental investigation of pressure broadening and line shift of carbon monoxide in collision with hydrogen between 8 and 600 K Mengel M, Flatin DC, De Lucia FC
4076 - 4089	Collisional energy transfer probabilities of highly excited molecules from kinetically controlled selective ionization (KCSI). I. The KCSI technique: Experimental approach for the determination of P(E-＇,E) in the quasicontinuous energy range Hold U, Lenzer T, Luther K, Reihs K, Symonds AC
4090 - 4110	Collisional energy transfer probabilities of highly excited molecules from kinetically controlled selective ionization (KCSI). II. The collisional relaxation of toluene: P(E ＇,E) and moments of energy transfer for energies up to 50 000 cm(-1) Lenzer T, Luther K, Reihs K, Symonds AC
4111 - 4117	Overtone spectroscopy of methyl C-H stretch vibration in CH3CF2Cl and CH3CFCl2 Chen X, Melchior A, Bar I, Rosenwaks S
4118 - 4123	Resonant two-photon ionization spectroscopy of jet-cooled PtSi Shao L, Sickafoose SM, Langenberg JD, Brugh DJ, Morse MD
4124 - 4131	Ab initio calculations of the spin-orbit splitting in the C state of CF4+ including the dynamical Jahn-Teller effect Sommerdijk H, van Hemert MC
4132 - 4142	Theoretical study of the Jahn-Teller effect in (X)over-tilde E-2 CH3O Hoper U, Botschwina P, Koppel H
4143 - 4152	MCSCF calculations of NMR spin-spin coupling constant of the HF molecule San Fabian J, Casanueva J, San Fabian E, Guilleme J
4153 - 4161	Photoelectron spectroscopy of autoionizing Rydberg states of ammonia Bacon JA, Pratt ST
4162 - 4172	Semiclassical study of the isomerization states of HCP Joyeux M, Sugny D, Tyng V, Kellman ME, Ishikawa H, Field RW, Beck C, Schinke R
4173 - 4185	Atomic integral driven second order polarization propagator calculations of the excitation spectra of naphthalene and anthracene Bak KL, Koch H, Oddershede J, Christiansen O, Sauer SPA
4186 - 4192	A combined instantaneous normal mode and time correlation function description of the optical Kerr effect and Raman spectroscopy of liquid CS2 Ji XD, Alhborn H, Space B, Moore PB, Zhou Y, Constantine S, Ziegler LD
4193 - 4202	Critical cluster size and droplet nucleation rate from growth and decay simulations of Lennard-Jones clusters Vehkamaki H, Ford IJ
4203 - 4211	Study of inhomogeneity of supercritical water by small-angle x-ray scattering Morita T, Kusano K, Ochiai H, Saitow K, Nishikawa K
4212 - 4215	Simulation of preferential Cu2+ solvation in aqueous ammonia solution by means of Monte Carlo method including three-body correction terms Pranowo HD, Rode BM
4216 - 4220	Charge recombination in contact ion pairs Frantsuzov PA, Tachiya M
4221 - 4230	Optical limiting properties of mono- and multiple-functionalized fullerene derivatives Riggs JE, Sun YP
4231 - 4241	The structure of liquid methanol by H/D substitution technique of neutron diffraction Adya AK, Bianchi L, Wormald CJ
4242 - 4250	Cross polarization induced by temporary adsorption: NMR investigations on nanocapsule dispersions Hoffmann D, Mayer C
4251 - 4261	Spectroscopic characterization of pure and cation-stabilized sodium phosphate Cole RS, Frech R
4262 - 4270	Surface-rheological measurements on glass forming polymers based on the surface tension driven decay of imprinted corrugation gratings Hamdorf M, Johannsmann D
4271 - 4278	The electronic structure of polyhex carbon tori Ceulemans A, Chibotaru LF, Bovin SA, Fowler PW
4279 - 4285	Molecular dynamics simulation of supersaturated vapor nucleation in slit pore Yasuoka K, Gao GT, Zeng XC
4286 - 4295	Phase transitions in an associating, network-forming, Lennard-Jones fluid in slit-like pores. II. Extension of the density functional method Huerta A, Pizio O, Sokolowski S
4296 - 4304	Near edge X-ray absorption fine structure measurements (XANES) and extended x-ray absorption fine structure measurements (EXAFS) of the valence state and coordination of antimony in doped nanocrystalline SnO2 Rockenberger J, zum Felde U, Tischer M, Troger L, Haase M, Weller H
4305 - 4309	Xerographic study on a ladder-type poly(para-phenylene) Pan JY, Scherf U, Schreiber A, Haarer D
4310 - 4320	Quantum dynamics of electrons in a molecular segment with phonon interaction Gayen T, McDowell K, Burns A
4321 - 4325	Inclusion behavior between molecular nanotubes and linear polymer chains in aqueous solutions Ikeda E, Okumura Y, Shimomura T, Ito K, Hayakawa R
4326 - 4333	Modeling absorption and segregation of magnesium and cadmium ions to calcite surfaces: Introducing MgCO3 and CdCO3 potential models de Leeuw NH, Parker SC
4334 - 4341	Crystal field influence on the S-8(7/2) ground state splitting of Bk4+ in CeF4 Brito HF, Liu GK
4342 - 4350	Computer simulation studies of anisotropic systems. XXXII. Field-induction of a smectic A phase in a Gay-Berne mesogen Luckhurst GR, Saielli G
4351 - 4356	Structure of polydisperse dipolar hard-sphere fluids Cabral BJC
4357 - 4364	Diffusion in supersaturated solutions: Application to the case of supersaturated protein solutions Izmailov AF, Myerson AS
4365 - 4375	Scaling theory for end-functionalized polymers confined between two surfaces: Predictions for fabricating polymer/clay nanocomposites Kuznetsov DV, Balazs AC
4376 - 4383	Polymer crystallization in quasi-two dimensions. I. Experimental results Reiter G, Sommer JU
4384 - 4393	Polymer crystallization in quasi-two dimensions. II. Kinetic models and computer simulations Sommer JU, Reiter G
4394 - 4401	Diffusion-controlled kinetics of the helix-coil transition with square barrier hydrogen bonds Jun B, Weaver DL
4402 - 4412	A theoretical study of polyimide flexibility Walsh TR, Harkins CG, Sutton AP
4413 - 4414	The advantage of writing kinetic energy operators in polyspherical curvilinear coordinates in terms of z(i)=cos phi(i) Carrington T
4415 - 4416	On the long-range and short-range behavior of potentials from reproducing kernel Hilbert space interpolation Soldan P, Hutson JM
4417 - 4418	Interaction second virial coefficients from a recent H-2-CO potential energy surface Gottfried J, McBane GC
4419 - 4420	Comment on "Quantum Monte Carlo study of the dipole moment of CO" [J. Chem. Phys. 110, 11700 (1999)] Huang KC, Needs RJ, Rajagopal G
4421 - 4422	Response to "Comment on 'Quantum Monte Carlo study of the dipole moment of CO' " [J. Chem. Phys. 112, 4419 (2000)] Schautz F, Flad HJ