Journal of Chemical Physics

Journal of Chemical Physics, Vol.112, No.21 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (54 articles)

9201 - 9205	Sensitive measurement of absolute two-photon absorption cross sections Sengupta P, Balaji J, Banerjee S, Philip R, Kumar GR, Maiti S
9206 - 9208	Electron distribution in water Badyal YS, Saboungi ML, Price DL, Shastri SD, Haeffner DR, Soper AK
9209 - 9212	Vibrational spectroscopy of a transient species through time-resolved Fourier transform infrared emission spectroscopy: The vinyl radical Letendre L, Liu DK, Pibel CD, Halpern JB, Dai HL
9213 - 9222	Is Moller-Plesset perturbation theory a convergent ab initio method? Leininger ML, Allen WD, Schaefer HF, Sherrill CD
9223 - 9228	Efficient real-space solution of the Kohn-Sham equations with multiscale techniques Wang J, Beck TL
9229 - 9242	Accuracy of atomization energies and reaction enthalpies in standard and extrapolated electronic wave function/basis set calculations Bak KL, Jorgensen P, Olsen J, Helgaker T, Klopper W
9243 - 9252	Parallel filter diagonalization: A novel method to resolve quantum states in dense spectral regions Santra R, Breidbach J, Zobeley J, Cederbaum LS
9253 - 9257	Comparison of charged sheets and corrected 3D Ewald calculations of long-range forces in slab geometry electrolyte systems with solvent molecules Crozier PS, Rowley RL, Spohr E, Henderson D
9258 - 9268	CASCCD: Coupled-cluster method with double excitations and the CAS reference Ivanov VV, Adamowicz L
9269 - 9275	Density functional calculations of hypothetical neutral hollow octahedral molecules with a 48-atom framework: Hydrides and oxides of boron, carbon, nitrogen, aluminum, and silicon LaViolette RA, Benson MT
9276 - 9281	Collision-induced dissociation and density functional study of the structures and energies of cyclic C2nN5- clusters Tang ZC, BelBruno JJ, Huang RB, Zheng LS
9282 - 9288	High-resolution infrared spectrum and energy levels of the weakly bound complex, CO-orthoD(2) McKellar ARW
9289 - 9300	Photoionization and photofragmentation of gaseous toluene using 80-fs, 800-nm laser pulses Muller AM, Uiterwaal CJGJ, Witzel B, Wanner J, Kompa KL
9301 - 9309	Determination of conformational energy differences of propynlidyne isomers using the effective valence shell Hamiltonian method Chaudhuri RK, Majumder S, Freed KF
9310 - 9318	Studies on carbon/sulfur cluster anions produced by laser vaporization: Experiment (collision-induced dissociation) and theory (ab initio calculation). I. C2Sm- (1 <= m <= 11) Chen H, Huang RB, Lu X, Tang ZC, Xu X, Zheng LS
9319 - 9334	The nu(CC)+3 nu(CH) rovibrational manifold of acetylene. II. Intramolecular perturbations and symmetry-breaking processes Milce AP, Orr BJ
9335 - 9342	Ab initio study of the low-lying electronic states of Ag-3(-), Ag-3, and Ag-3(+): A coupled-cluster approach Yoon J, Kim KS, Baeck KK
9343 - 9352	Calculations of the dynamics of phase-locked vibrational wave packets in Na-2(+): Young's double slit experiment in a molecule Stavros VG, Fielding HH
9353 - 9355	On the ground-state spectroscopic constants of Tl-2 Han YK, Hirao K
9356 - 9362	Relativistic coupled cluster calculations for neutral and singly charged Au-3 clusters Wesendrup R, Hunt T, Schwerdtfeger P
9363 - 9374	Noble gas-metal chemical bonding? The microwave spectra, structures, and hyperfine constants of Ar-CuX (X = F, Cl, Br) Evans CJ, Gerry MCL
9375 - 9389	Potential energy surface, thermal, and state-selected rate coefficients, and kinetic isotope effects for Cl+CH4 -> HCl+CH3 Corchado JC, Truhlar DG, Espinosa-Garcia J
9390 - 9403	Hot atom reaction yields in Mu()+H-2 and T-+H-2 from quasiclassical trajectory cross sections on the Liu-Siegbahn-Truhlar-Horowitz surface Senba M, Fleming DG, Arseneau DJ, Mayne HR
9404 - 9410	Absolute partial cross sections for electron-impact ionization of NO and NO2 from threshold to 1000 eV Lindsay BG, Mangan MA, Straub HC, Stebbings RF
9411 - 9416	Radiative and predissociative rates for NO A(2)Sigma(+)v '=0-5 and D-2 Sigma(+)v '=0-3 Luque J, Crosley DR
9417 - 9426	Fragmentation of Na-3(+) clusters following He impact: Theoretical analysis of fragmentation mechanisms Babikov D, Gislason E, Sizun M, Aguillon F, Sidis V
9427 - 9432	Vibrational energy transfer in OH A(2)Sigma(+) between 195 and 295 K Steffens KL, Crosley DR
9433 - 9444	Direct observation of charge-transfer-to-solvent (CTTS) reactions: Ultrafast dynamics of the photoexcited alkali metal anion sodide (Na-) Barthel ER, Martini IB, Schwartz BJ
9445 - 9454	Singlet and triplet excitations of chiral dialkoxy-p-phenylene vinylene oligomers Peeters E, Ramos AM, Meskers SCJ, Janssen RAJ
9455 - 9462	Structural relaxation of the fragile glass-former propylene carbonate studied by nuclear magnetic resonance Qi F, Schug KU, Dupont S, Doss A, Bohmer R, Sillescu H, Kolshorn H, Zimmermann H
9463 - 9468	Self-consistent field, ab initio molecular orbital and three-dimensional reference interaction site model study for solvation effect on carbon monoxide in aqueous solution Sato H, Kovalenko A, Hirata F
9469 - 9478	Theoretical study for partial molar volume of amino acids in aqueous solution: Implication of ideal fluctuation volume Imai T, Kinoshita M, Hirata F
9479 - 9488	A molecular dynamics study of the urea/water mixture Idrissi A, Sokolic F, Perera A
9489 - 9497	New equation for the light and neutron scattering intensity of fluid mixtures Vrij A
9498 - 9508	Concertedness and solvent effects in multiple proton transfer reactions: The formic acid dimer in solution Kohanoff J, Koval S, Estrin DA, Laria D, Abashkin Y
9509 - 9517	The non-Poissonian collision model for the condensed phase activated rate processes Shushin AI
9518 - 9523	Forced Rayleigh scattering studies of mixtures of amplitude and phase gratings in methyl yellow/alcohol solutions Park HS, Chang TY, Spiegel DR
9524 - 9542	Squeezing lubrication films: Layering transition for curved solid surfaces with long-range elasticity Persson BNJ, Ballone P
9543 - 9548	Local density approximation and generalized gradient approximation calculations for oxygen and silicon vacancies in silica Capron N, Carniato S, Lagraa A, Boureau G, Pasturel A
9549 - 9556	First principles study of thermal decomposition of alkyl-gallium and tertiary butylarsine Boero M, Morikawa Y, Terakura K, Ozeki M
9557 - 9561	High photogeneration efficiency of charge-transfer complexes formed between low ionization potential arylamines and C-60 Hendrickx E, Kippelen B, Thayumanavan S, Marder SR, Persoons A, Peyghambarian N
9562 - 9568	Structure sensitivity and cluster size convergence for formate adsorption on copper surfaces: A DFT cluster model study Hu ZM, Boyd RJ
9569 - 9581	Surface aligned photochemistry: Photodissociation of Cl-2 and Cl-2 center dot Cl adsorbed on LiF(001) Giorgi JB, Naumkin FY, Polanyi JC, Raspopov SA, Sze NSK
9582 - 9589	The adsorption of water on clean and oxygen predosed Rh(111): Surface templating via (1x1)-O/Rh(111) induces formation of a novel high-density interfacial ice structure Gibson KD, Viste M, Sibener SJ
9590 - 9598	Physical adsorption of xenon in open single walled carbon nanotubes: Observation of a quasi-one-dimensional confined Xe phase Kuznetsova A, Yates JT, Liu J, Smalley RE
9599 - 9606	Temperature-accelerated dynamics for simulation of infrequent events Sorensen MR, Voter AF
9607 - 9616	Construction of a grazing incidence x-ray reflection system for liquid-vapor interfaces by use of an imaging plate Yano YF, Iijima T
9617 - 9623	A density functional theory study of site-specific methyl reaction on MoO3(010): The effects of methyl coverage Chen M, Friend CM, Kaxiras E
9624 - 9631	An ab initio quartic force field of PH3 Wang D, Shi Q, Zhu QS
9632 - 9644	Local dynamics of isotactic and syndiotactic polypropylene in solution Destree M, Laupretre F, Lyulin A, Ryckaert JP
9645 - 9654	Exponential and logarithmic spectral diffusion in single molecule fluorescence Osad'ko IS, Yershova LB
9655 - 9660	The role of segment interactions in pattern recognition between random heteropolymers and disordered surfaces Srebnik S
9661 - 9670	A Monte Carlo study on the effect of excluded volume interactions on the scattering from block copolymer micelles Svaneborg C, Pedersen JS
9671 - 9678	Dynamics of DNA electrophoresis in dilute and entangled polymer solutions Noguchi H