Journal of Chemical Physics

Journal of Chemical Physics, Vol.121, No.14 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (56 articles)

6587 - 6590	Rovibrational product state distribution for inelastic H+D-2 collisions Pomerantz AE, Ausfelder F, Zare RN, Juanes-Marcos JC, Althorpe SC, Rabanos VS, Aoiz FJ, Banares L, Castillo JF
6591 - 6598	A closed-shell coupled-cluster treatment of the Breit-Pauli first-order relativistic energy correction Coriani S, Helgaker T, Jorgensen P, Klopper W
6599 - 6607	A semiclassical study of wave packet dynamics in anharmonic potentials Yang SL, Cao JS, Field RW
6608 - 6614	Linear scaling computation of the Fock matrix. VII. Parallel computation of the Coulomb matrix Gan CK, Tymczak CJ, Challacombe M
6615 - 6627	Single molecule conductivity: The role of junction-orbital degeneracy in the artificially high currents predicted by ab initio approaches Solomon GC, Reimers JR, Hush NS
6628 - 6633	Extrapolating bound state data of anions into the metastable domain Feuerbacher S, Sommerfeld T, Cederbaum LS
6634 - 6639	Mixed-sector intermediate Hamiltonian Fock-space coupled cluster approach Landau A, Eliav E, Ishikawa Y, Kaldor U
6640 - 6648	Effective potential in density matrix functional theory Nagy A, Amovilli C
6649 - 6657	Divide-and-conquer local correlation approach to the correlation energy of large molecules Li W, Li SH
6658 - 6666	Time-dependent four-component relativistic density functional theory for excitation energies Gao J, Liu WJ, Song B, Liu CB
6667 - 6679	Hamilton-Jacobi equation for the least-action/least-time dynamical path based on fast marching method Dey BK, Janicki MR, Ayers PW
6680 - 6688	Multiresolution quantum chemistry in multiwavelet bases: Hartree-Fock exchange Yanai T, Fann GI, Gan ZT, Harrison RJ, Beylkin G
6689 - 6697	Analysis of cooperativity and localization for atomic rearrangements Trygubenko SA, Wales DJ
6698 - 6709	Parallel, linear-scaling building-block and embedding method based on localized orbitals and orbital-specific basis sets Seijo L, Barandiaran Z
6710 - 6718	Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: Glycyl radical as a case study Ciofini I, Adamo C, Barone V
6719 - 6727	Two-component relativistic methods for the heaviest elements Kedziera D, Barysz M
6728 - 6737	Reactivity of C10H7+ and C10D7+ with H-2 and D-2 Ascenzi D, Bassi D, Franceschi P, Hadjar O, Tosi P, Di Stefano M, Rosi M, Sgamellotti A
6738 - 6742	Ab initio and kinetic calculations for the reactions of Cl with SiHnCl4-n (n=1,2,3,4) Pei K, Li HY
6743 - 6749	Cyclic-N-3. I. An accurate potential energy surface for the ground doublet electronic state up to the energy of the (2)A(2)/B-2(1) conical intersection Babikov D, Zhang P, Morokuma K
6750 - 6758	The effect of kinematic parameters on inelastic scattering of glyoxal Duca MD
6759 - 6770	Orbital alignment in N2O photodissociation. I. Determination of all even rank anisotropy parameters Smolin AG, Vasyutinskii OS, Wouters ER, Suits AG
6771 - 6775	Ambiguities in the semiclassical assignment of the asymmetric rotor rotational quantum numbers Faure A, Wiesenfeld L
6776 - 6778	Gas phase detection of cyclic B-3: 2(2)E(')<- X(2)A(1)(') electronic origin band Cias P, Araki M, Denisov A, Maier JP
6779 - 6784	Photoassociation spectroscopy of ultracold Cs below the 6P(3/2) limit Pichler M, Chen HM, Stwalley WC
6785 - 6797	Periodic table of 3d-metal dimers and their ions Gutsev GL, Mochena MD, Jena P, Bauschlicher CW, Partridge H
6798 - 6808	Relativistic effects on nuclear magnetic shielding constants in HX and CH3X (X=Br,I) based on the linear response within the elimination of small component approach Melo JI, de Azua MCR, Giribet CG, Aucar GA, Provasi PF
6809 - 6821	Ab initio rate constants from hyperspherical quantum scattering: Application to H+C2H6 and H+CH3OH Kerkeni B, Clary DC
6822 - 6829	Reactions of N+, N-2(+), and N-3(+) with NO from 300 to 1400 K Midey AJ, Miller TM, Viggiano AA
6830 - 6834	Insights into dynamics of the S-2 state of thiophosgene from ab initio calculations Zhang F, Lin L, Fang WH
6835 - 6844	Circular dichroism effect for linear molecules induced by a resonant circularly polarized pumping optical field Zheng RH, Chen DM, Wei WM, He TJ, Liu FC
6845 - 6854	Motional narrowing of the rotational spectrum of trifluoropropyne at 6550 cm(-1) by intramolecular vibrational energy redistribution Douglass KO, Dian BC, Brown GG, Johns JE, Nair PM, Pate BH
6855 - 6860	Optical spectroscopy of RuC: 18 000-24 000 cm(-1) Lindholm NF, Hales DA, Ober LA, Morse MD
6861 - 6867	Laser-induced fluorescence of cyclohexadienyl (c-C6H7) radical in the gas phase Imamura T, Zhang WJ, Horiuchi H, Hiratsuka H, Kudo T, Obi K
6868 - 6873	High resolution infrared spectra of helium clusters seeded with isotopic carbon monoxide, He-N-(CO)-C-13-O-16 and He-N-(CO)-C-12-O-18 McKellar ARW
6874 - 6883	Global potential energy surfaces for the Al+(S-1)+H-2 system Salazar MR
6884 - 6886	Higher virial coefficients of four and five dimensional hard hyperspheres Bishop M, Masters A, Vlasov AY
6887 - 6899	Liquid-gas coexistence and critical point shifts in size-disperse fluids Wilding NB, Fasolo M, Sollich P
6900 - 6917	Nucleation versus spinodal decomposition in phase formation processes in multicomponent solutions Schmelzer JWP, Abyzov AS, Moller J
6918 - 6921	Rescaled density expansions and demixing in hard-sphere binary mixtures de Haro ML, Tejero CF
6922 - 6934	Evaluation of site-site bridge diagrams for molecular fluids Vatamanu J, Cann NM
6935 - 6940	Sublimation enthalpy of dye molecules measured using fluorescence Stefanov A, Stibor A, Dominguez-Clarimon A, Arndt M
6941 - 6947	Local order and dynamics in supercooled water: A study by IR spectroscopy and molecular dynamic simulations Zasetsky AY, Khalizov AF, Sloan JJ
6948 - 6955	Solvation dynamics in supercritical fluids: Equilibrium versus nonequilibrium solvent response functions Egorov SA
6956 - 6960	Evidence for the coexistence of two different mechanisms for the occurrence of anti-Kasha S-2(1(1)B(u)) fluorescence from alpha,omega-diphenylpolyenes Itoh T
6961 - 6966	Calculation of infrared absorption spectra using Gaussian variational wave packets Buch V
6967 - 6971	Organic functionalization of sidewall of carbon nanotubes Kang HS
6972 - 6977	The growth of perylene on Ru(0001) Mao HY, Huang H, Chen Q, Richardson NV, Wu Y, Zhang JH, Li HY, He PM, Bao SN
6978 - 6985	Anomalous viscoelasticity near the isotropic-nematic phase transition in liquid crystals Jose PP, Bagchi B
6986 - 6997	Structure, surface excess and effective interactions in polymer nanocomposite melts and concentrated solutions Hooper JB, Schweizer KS, Desai TG, Koshy R, Keblinski P
6998 - 7008	Molecular dynamics simulations of the d(CCAACGTTGG)(2) decamer in crystal environment: Comparison of atomic point-charge, extra-point, and polarizable force fields Baucom J, Transue T, Fuentes-Cabrera M, Krahn JM, Darden TA, Sagui C
7009 - 7021	Structure and phase behavior of polyelectrolyte star solutions Hoffmann N, Likos CN, Lowen H
7022 - 7029	Self-diffusion of rodlike and spherical particles in a matrix of charged colloidal spheres: A comparison between fluorescence recovery after photobleaching and fluorescence correlation spectroscopy Lellig C, Wagner J, Hempelmann R, Keller S, Lumma D, Hartl W
7030 - 7031	Characterization of the hyperline of D-1/D-0 conical intersections between the maleic acid and fumaric acid anion radicals Takahashi O, Sumita M
7032 - 7034	Comment on "Electrostatics in periodic slab geometries. I" [J. Chem. Phys. 117, 2496 (2002)] Brodka A
7035 - 7035	Excitation energies for a benchmark set of molecules obtained within time-dependent current-density functional theory using the Vignale-Kohn functional (vol 120, pg 8353, 2004) van Faassen M, de Boeij PL
7036 - 7036	Statistical thermodynamics of bond torsional modes (vol 112, pg 1221, 2000) Chuang YY, Truhlar DG