Journal of Chemical Physics

Journal of Chemical Physics, Vol.120, No.14 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (56 articles)

6325 - 6345	Kinetic theory and hydrodynamics of dense, reacting fluids far from equilibrium Lutsko JF
6346 - 6355	Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules Torrent-Sucarrat M, Sola M, Duran M, Luis JM, Kirtman B
6356 - 6362	Test of the quantum instanton approximation for thermal rate constants for some collinear reactions Ceotto M, Miller WH
6363 - 6374	Synchronization of trajectories in canonical molecular-dynamics simulations: Observation, explanation, and exploitation Uberuaga BP, Anghel M, Voter AF
6375 - 6380	A local second-order Moller-Plesset method with localized orbitals: A parallelized efficient electron correlation method Nakao Y, Hirao K
6381 - 6398	A constrained variational approach for energy derivatives in Fock-space multireference coupled-cluster theory Shamasundar KR, Asokan S, Pal S
6399 - 6407	An electron in a finite-dipole potential Patil SH
6408 - 6413	Relativistic correlating basis sets for the sixth-period d-block atoms from Lu to Hg Osanai Y, Noro T, Miyoshi E, Sekiya M, Koga T
6414 - 6422	Improving the accuracy of interpolated potential energy surfaces by using an analytical zeroth-order potential function Kawano A, Guo Y, Thompson DL, Wagner AF, Minkoff M
6423 - 6429	Kolmogorov-Sinai entropy for the A+B -> P reaction in transitional flows Rogberg P, Cvetkovic V
6430 - 6438	Exit interaction effect on nascent product state distribution of O(D-1)+N2O -> NO+NO Kawai S, Fujimura Y, Kajimoto O, Takayanagi T
6439 - 6448	Sub-Doppler rotationally resolved spectroscopy of lower vibronic bands of benzene with Zeeman effects Doi A, Kasahara S, Kato H, Baba M
6449 - 6460	A theoretical and experimental study of the SO22+ dication Hochlaf M, Eland JHD
6461 - 6470	Gas phase infrared spectroscopy of mono- and divanadium oxide cluster cations Asmis KR, Meijer G, Brummer M, Kaposta C, Santambrogio G, Woste L, Sauer J
6471 - 6477	Potential energy surface and rovibrational states of the ground Ar-HI complex Prosmiti R, Lopez-Lopez S, Garcia-Vela A
6478 - 6486	An application of error reduction and harmonic inversion schemes to the semiclassical calculation of molecular vibrational energy levels Kunikeev SD, Atilgan E, Taylor HS, Kaledin AL, Main J
6487 - 6494	Static dipole polarizability and binding energy of sodium clusters Na-n (n=1-10): A critical assessment of all-electron based post Hartree-Fock and density functional methods Chandrakumar KRS, Ghanty TK, Ghosh SK
6495 - 6501	Trans-1-chloro-2-fluoroethylene: Microwave spectra and anharmonic force field Cazzoli G, Puzzarini C, Gambi A
6502 - 6509	Photodissociation of bromobenzene, dibromobenzene, and 1,3,5-tribromobenzene Liu YJ, Persson P, Karlsson HO, Lunell S, Kadi M, Karlsson D, Davidsson J
6510 - 6515	Interactions of Au cluster anions with oxygen Sun Q, Jena P, Kim YD, Fischer M, Gantefor G
6516 - 6523	Topology of the distribution of zeros of the Husimi function in the LiNC/LiCN molecular system Arranz FJ, Benito RM, Borondo F
6524 - 6530	Competitive C-H and O-D bond fission channels in the UV photodissociation of the deuterated hydroxymethyl radical CH2OD Feng L, Demyanenko AV, Reisler H
6531 - 6541	High resolution photoabsorption and photofragment fluorescence spectroscopy of water between 10.9 and 12 eV Fillion JH, Ruiz J, Yang XF, Castillejo M, Rostas F, Lemaire JL
6542 - 6550	Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. II. Furo-furan isomers Cuesta IG, Jartin RS, de Meras AS, Lazzeretti P
6551 - 6556	Observation of the 3(3)Sigma(+)-X-1 Sigma(+) transition of KRb by resonance enhanced two-photon ionization in a pulsed molecular beam: Hyperfine structures of (KRb)-K-39-Rb-85 and (KRb)-K-39-Rb-87 isotopomers Lee Y, Yoon Y, Kim B, Li L, Lee S
6557 - 6565	Electron attachment to gas-phase uracil Denifl S, Ptasinska S, Hanel G, Gstir B, Probst M, Scheier P, Mark TD
6566 - 6573	Ab initio studies of alkyl radical reactions: Combination and disproportionation reactions of CH3 with C2H5, and the decomposition of chemically activated C3H8 Zhu RS, Xu ZF, Lin MC
6574 - 6584	Saturated adsorption of CO and coadsorption of CO and O-2 on Au-N(-) (N=2-7) clusters Yuan DW, Zeng Z
6585 - 6592	Accurate theoretical near-equilibrium potential energy and dipole moment surfaces of HgClO and HgBrO Balabanov NB, Peterson KA
6593 - 6599	Thermal decomposition of ethanol. III. A computational study of the kinetics and mechanism for the CH3+C2H5OH reaction Xu ZF, Park J, Lin MC
6600 - 6608	Optimal control of quantum non-Markovian dissipation: Reduced Liouville-space theory Xu RX, Yan YJ, Ohtsuki Y, Fujimura Y, Rabitz H
6609 - 6620	Raman spectra of ionic liquids: Interpretation via computer simulation Madden PA, Wilson M, Hutchinson F
6621 - 6624	Quantum dynamics in simple fluids Lawrence CP, Nakayama A, Makri N, Skinner JL
6625 - 6641	Infrared spectroscopy of acetone-water liquid mixtures. II. Molecular model Max JJ, Chapados C
6642 - 6647	Mode-coupling theory for reaction dynamics in liquids Shental N, Rabani E
6648 - 6659	Towards an understanding of the heat capacity of liquids. A simple two-state model for molecular association Cerdeirina CA, Gonzalez-Salgado D, Romani L, Delgado MD, Torres LA, Costas M
6660 - 6664	Homogeneous nucleation of droplets from supersaturated vapor in a closed system Kozisek Z, Sato K, Demo P, Sveshnikov AM
6665 - 6673	Heat capacity and electron spin echo evidence for low frequency vibrational modes and lattice disorder in L-alanine at cryogenic temperatures Rakvin B, Maltar-Strmecki N, Ramsey CM, Dalal NS
6674 - 6690	Temperature dependence of the hydrophobic hydration and interaction of simple solutes: An examination of five popular water models Paschek D
6691 - 6700	Aspects of prewetting at nonplanar surfaces Bohlen H, Schoen M
6701 - 6704	Reduced photobleaching of chromophores close to a metal surface Vasilev K, Stefani FD, Jacobsen V, Knoll W, Kreiter M
6705 - 6711	Density functional theory investigation of benzenethiol adsorption on Au(111) Nara J, Higai S, Morikawa Y, Ohno T
6712 - 6720	Dielectric response of modified Hubbard models with neutral-ionic and Peierls transitions Soos ZG, Bewick SA, Peri A, Painelli A
6721 - 6725	Density-functional study of organic-inorganic hybrid single crystal ZnSe(C2H8N2)(1/2) Fu HX, Li J
6726 - 6733	Effects of the Gaussian energy dispersion on the statistics of polarons and bipolarons in conducting polymers Bisquert J, Garcia-Belmonte G, Garcia-Canadas J
6734 - 6743	Integral equation study of a Stockmayer fluid adsorbed in polar disordered matrices Spoler C, Klapp SHL
6744 - 6750	Hybrid atomistic-coarse-grained treatment of thin-film lubrication. I Wu ZB, Diestler DJ, Feng R, Zeng XC
6751 - 6755	A new cell model for equation of state of polyethylene melt and n-alkane Murakami M
6756 - 6763	Annealing contour Monte Carlo algorithm for structure optimization in an off-lattice protein model Liang FM
6764 - 6768	Large effect of polydispersity on defect concentrations in colloidal crystals Pronk S, Frenkel D
6769 - 6778	Folding probabilities: A novel approach to folding transitions and the two-dimensional Ising-model Lenz P, Zagrovic B, Shapiro J, Pande VS
6779 - 6791	Thermodynamics of lattice heteropolymers Bachmann M, Janke W
6792 - 6793	Helium nanodroplet isolation spectroscopy of perylene and its complexes with oxygen Carcabal P, Schmied R, Lehmann KK, Scoles G
6794 - 6796	Comment on "Unraveling the mysteries of metastable O-4 [J. Chem. Phys. 110, 6095 (1999)] Chestakov DA, Parker DH, Dinu L, Baklanov AV
6797 - 6797	The Kramers' restricted complete active space self-consistent-field method for two-component molecular spinors and relativistic effective core potentials including spin-orbit interactions (vol 119, pg 12169, 2003) Kim YS, Lee YS
6798 - 6798	Polymer-specific effects of bulk relaxation and stringlike correlated motion in the dynamics of a supercooled polymer melt (vol 119, pg 5290, 2003) Aichele M, Gebremichael Y, Starr FW, Baschnagel J, Glotzer SC