Journal of Chemical Physics

Journal of Chemical Physics, Vol.110, No.12 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (71 articles)

5481 - 5484	Adiabatic diffusion Monte Carlo approaches for studies of ground and excited state properties of van der Waals complexes Lee HS, Herbert JM, McCoy AB
5485 - 5488	Microcanonical rates for the unimolecular dissociation of the ethyl radical Gilbert T, Grebner TL, Fischer I, Chen P
5489 - 5492	Substrate induced crystallization of amorphous solid water at low temperatures Dohnalek Z, Ciolli RL, Kimmel GA, Stevenson KP, Smith RS, Kay BD
5493 - 5502	Modeling the Monte Carlo simulation of associating fluids Visco DP, Kofke DA
5503 - 5513	Analytical energy gradients of a self-consistent reaction-field solvation model based on CM2 atomic charges Zhu TH, Li JB, Liotard DA, Cramer CJ, Truhlar DG
5514 - 5520	Predicting nonstatistical unimolecular reaction rates using Kramers' theory Guo Y, Shalashilin DV, Krouse JA, Thompson DL
5521 - 5525	Intramolecular dynamics diffusion theory approach to complex unimolecular reactions Guo Y, Shalashilin DV, Krouse JA, Thompson DL
5526 - 5537	Time-dependent quantum dynamics in a Gauss-Hermite basis Billing GD
5538 - 5547	Faber and Newton polynomial integrators for open-system density matrix propagation Huisinga W, Pesce L, Kosloff R, Saalfrank P
5548 - 5556	Path integral approximation of state- and angle-resolved inelastic scattering Whiteley TWJ, McCaffery AJ
5557 - 5563	Infrared emission spectroscopy of NH: Comparison of a cryogenic echelle spectrograph with a Fourier transform spectrometer Ram RS, Bernath PF, Hinkle KH
5564 - 5567	Multiphoton ionization of NO/CD3OH heteroclusters: Observation of [(NO)(n)(CD3O)(x)(CD3OH)(m)](+) cluster ions Shin DN, DeLeon RL, Garvey JF
5568 - 5577	Static dipole polarizability of small mixed sodium-lithium clusters Antoine R, Rayane D, Allouche AR, Frecon MA, Benichou E, Dalby FW, Dugourd P, Broyer M, Guet C
5578 - 5588	Observation of an energy threshold for large Delta E collisional relaxation of highly vibrationally excited pyrazine (E-vib = 31000-41000 cm(-1)) by CO2 Elioff MS, Wall MC, Lemoff AS, Mullin AS
5589 - 5599	Resolved high Rydberg spectroscopy of benzene center dot rare gas van der Waals clusters: Enhancement of spin-orbit coupling in the radical cation by an external heavy atom Siglow K, Neuhauser R, Neusser HJ
5600 - 5610	The core excitation of pyridine and pyridazine: An electron spectroscopy and ab initio study Hannay C, Duflot D, Flament JP, Hubin-Franskin MJ
5611 - 5618	The semiclassical regime of intramolecular vibrational dynamics Gaspard P, van der Pals PV
5619 - 5633	Vibrational time recurrences in a model of acetylene (C2H2)-C-12 van der Pals PV, Gaspard P
5634 - 5638	Infrared absorption line strengths of the Na center dot center dot center dot FH van der Waals molecule Topaler M, Piecuch P, Truhlar DG
5639 - 5650	The rotational and vibrational dynamics of argon-methane. I. A theoretical study Heijmen TGA, Wormer PES, van der Avoird A, Miller RE, Moszynski R
5651 - 5657	The rotational and vibrational dynamics of argon-methane. II. Experiment and comparison with theory Miller RE, Heijmen TGA, Wormer PES, van der Avoird A, Moszynski R
5658 - 5669	Electron spin resonance studies of (ScO)-Sc-45-O-17, (YO)-Y-89-O-17, and (LaO)-La-139-O-17 in rare gas matrices: Comparison with ab initio electronic structure and nuclear hyperfine calculations Knight LB, Kaup JG, Petzoldt B, Ayyad R, Ghanty TK, Davidson ER
5670 - 5676	Dissociation lifetimes of alkali halide dianions Sommerfeld T, Child MS
5677 - 5690	Nonadiabatic molecular dynamics simulations of the photofragmentation and geminate recombination dynamics in size-selected I-2(-)center dot(CO2)(n) cluster ions Margulis CJ, Coker DF
5691 - 5701	Impact of nonadiabatic coupling between the conically intersecting (X)over-tilde(2)A(1) and (A)over-tilde(2)B(2) states of NO2 on the negative ion photoelectron spectra of NO2- Mahapatra S, Koppel H, Cederbaum LS
5702 - 5709	Vibrational spectra of linear BC3 and linear B2C2 in argon at 10 K Presilla-Marquez JD, Carrick PG, Larson CW
5710 - 5720	Infrared and Raman spectra of bicyclic molecules using scaled noncorrelated and correlated ab initio force fields Collier WB, Magdo I, Klots TD
5721 - 5727	Correlated two-electron momentum properties for helium to neon atoms Sarsa A, Galvez FJ, Buendia E
5728 - 5733	Infrared spectroscopic study of rovibrational states of perdeuterated methane (CD4) trapped in parahydrogen crystal Hoshina H, Wakabayashi T, Momose T, Shida T
5734 - 5744	Nanosecond transient grating studies of jet-cooled NO2 Tang Y, Schmidt JP, Reid SA
5745 - 5757	Rotational constants of all H/D substituted water trimers: Coupling of intermolecular torsional and symmetric stretching modes Sabo D, Bacic Z, Graf S, Leutwyler S
5758 - 5762	Benzene trimer and benzene tetramer: Structures and properties determined by the nonempirical model (NEMO) potential calibrated from the CCSD(T) benzene dimer energies Engkvist O, Hobza P, Selzle HL, Schlag EW
5763 - 5771	Electron-pair densities of group 14, 15, and 16 atoms in their low-lying multiplet states Koga T, Matsuyama H, Dehesa JS, Thakkar AJ
5772 - 5788	Femtosecond transient-grating techniques: Population and coherence dynamics involving ground and excited states Brown EJ, Zhang QG, Dantus M
5789 - 5805	Excited states of van der Waals clusters by projector Monte Carlo, with application to excitations of molecules in small He-4(n) Blume D, Mladenovic M, Lewerenz M, Whaley KB
5806 - 5813	Vibrational structure of the chloromethane series, CH4-nCln, studied by core photoelectron spectroscopy and ab initio calculations Sundin S, Saethre LJ, Sorensen SL, Ausmees A, Svensson S
5814 - 5820	Transient spectral hole burning and hydrogen-bond breaking determined in different solutions of ethanol in deuterated ethanol Laenen R, Rauscher C, Simeonidis K
5821 - 5830	The "ionic" to "molecular" transitions in AlCl3 and FeCl3 as predicted by an ionic interaction model Hutchinson F, Walters MK, Rowley AJ, Madden PA
5831 - 5835	Comparison of Monte Carlo data and Percus-Yevick calculations of molecular pair correlation functions of a solute molecule in a simple liquid Franosch T, Singh AP
5836 - 5843	Excited-state site effects in luminescence spectroscopy of SH radicals in krypton matrices: Experiment and simulations Grigorenko B, Khriachtchev L, Nemukhin A, Petterson M, Isoniemi E, Rasanen M
5844 - 5850	Ultrafast exciton and excited-exciton dynamics in J-aggregates of three-level porphyrin molecules Misawa K, Kobayashi T
5851 - 5860	Coherent nuclear motion in a condensed-phase environment: Wave-packet approach and pump-probe spectroscopy Muhlbacher L, Lucke A, Egger R
5861 - 5865	Displacement and distortion of the ammonium ion in rotational transition states in ammonium fluoride and ammonium chloride Alavi A, Lynden-Bell RM, Brown RJC
5866 - 5872	Direction of the steady state nucleation flux in the whole size space for binary systems Li JS, Nishioka K
5873 - 5883	Hydrophobic hydration: Heat capacity of solvation from computer simulations and from an information theory approximation Arthur JW, Haymet ADJ
5884 - 5892	Aqueous solvation dynamics studied by photon echo spectroscopy Lang MJ, Jordanides XJ, Song X, Fleming GR
5893 - 5905	The probe frequency dependence of nonresonant femtosecond pump-probe nuclear responses: Undercutting vibrational inhomogeneities Zhou Y, Constantine S, Harrel S, Ziegler LD
5906 - 5912	A density functional study of liquid-liquid interfaces in partially miscible systems Napari I, Laaksonen A, Talanquer V, Oxtoby DW
5913 - 5918	Adsorption of bi-isonicotinic acid on rutile TiO2(110) Patthey L, Rensmo H, Persson P, Westermark K, Vayssieres L, Stashans A, Petersson A, Bruhwiler PA, Siegbahn H, Lunell S, Martensson N
5919 - 5932	Local vibrations in systems of interacting adsorbed molecules Rozenbaum VM, Lin SH
5933 - 5942	Intrazeolite anchoring of [HRuCo3(CO)(9)(mu(2)-CO)(3)]: Synthesis and reversible decarbonylation Shen JGC, Ichikawa M
5943 - 5951	Ro-vibrational Stark effect on H-2 and D-2 molecules adsorbed in NaA zeolite Bras N
5952 - 5959	Comparison of aqueous and native oxide formation on Cu(111) Chu YS, Robinson IK, Gewirth AA
5960 - 5968	Levitation effect and its relationship with the underlying potential energy landscape Rajappa C, Yashonath S
5969 - 5977	Wetting of a chemically heterogeneous surface Frink LJD, Salinger AG
5978 - 5982	Orientations of linear nonpolar molecules in a regular chain Klymenko VE, Rozenbaum VM
5983 - 5988	An interatomic potential for reactive ion etching of Si by Cl ions Hanson DE, Kress JD, Voter AF
5989 - 5992	Polymer solution viscoelasticity from two-parameter temporal scaling Phillies GDJ
5993 - 5997	Effects of field on temperature-induced segregation and folding of polymer chains Foo GM, Pandey RB
5998 - 6006	Spatio-temporal growth of nematic domains in liquid crystal polymer mixtures Chiu HW, Kyu T
6007 - 6013	A field-oriented chain of dipolar particles in elongational flow Miguel MC, Rubi JM
6014 - 6024	Valence correlation bands of model oligomers of polyethylene: A Green's function study by the band-Lanczos approach Golod A, Deleuze MS, Cederbaum LS
6025 - 6031	Structural effects of the solvent composition in colloidal liquids Quesada-Perez M, Callejas-Fernandez J, Hidalgo-Alvarez R
6032 - 6038	Connection between back-reaction boundary conditions and approach to equilibrium for double square wells Weaver DL
6039 - 6049	Molecular dynamics study of the solution of semiflexible telechelic polymer chains with strongly associating end-groups Khalatur PG, Khokhlov AR, Kovalenko JN, Mologin DA
6050 - 6056	Numerically exact diffusion coefficients for lattice systems with periodic boundary conditions. I. Theory Mercier JF, Slater GW, Guo HL
6057 - 6065	Numerically exact diffusion coefficients for lattice systems with periodic boundary conditions. II. Numerical approach and applications Mercer JF, Slater GW
6066 - 6078	Frictional effects in the simulation of polymers pulled around smooth and corrugated posts Hunter JE, Seagraves C, Reinhardt WP
6079 - 6080	Vibrational structure in the vinylidene anion photoelectron spectrum: Closing the gap between theory and experiment Stanton JF, Gauss J
6081 - 6081	Ab initio calculation of molecular energies including parity violating interactions (vol 109, pg 7263, 1998) Bakasov A, Ha TK, Quack M
6082 - 6082	Path integral study of hydrogen and deuterium diffusion in crystalline silicon (vol 108, pg 6819, 1998) Forsythe KM, Makri N