Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.105, No.10 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (55 articles)

1677 - 1682	Direct observation of resonance motion in complex elimination reactions: Femtosecond coherent dynamics in reduced space Kotting C, Diau EWG, Baldwin JE, Zewail AH
1683 - 1686	Ultrafast surface dynamics studied with femtosecond sum frequency generation Roke S, Kleyn AW, Bonn M
1687 - 1692	Femtosecond fluorescence anisotropy studies of solvation-induced intraligand charge transfer in photoexcited aluminum(III) tris(8-hydroxyquinoline) van Veldhoven E, Zhang H, Glasbeek M
1693 - 1701	Evidence of a double surface crossing between open- and closed-shell surfaces in the photodissociation of cyclopropyl iodide Arnold PA, Cosofret BR, Dylewski SM, Houston PL, Carpenter BK
1702 - 1710	Molecular dynamics simulations of dimethyl sulfoxide and dimethyl sulfoxide-water mixture Vishnyakov A, Lyubartsev AP, Laaksonen A
1711 - 1723	Map for the relaxation dynamics of hot photoelectrons injected into liquid water via anion threshold photodetachment and above threshold solvent ionization Vilchiz VH, Kloepfer JA, Germaine AC, Lenchenkov VA, Bradforth SE
1724 - 1730	Solvent-solute interactions probed by picosecond transient Raman spectroscopy: Vibrational relaxation and conformational dynamics in S-1 trans-4,4 '-diphenylstilbene Leonard JD, Gustafson TL
1731 - 1740	Excited-state intramolecular proton transfer in 10-hydroxybenzo[h]quinoline Chou PT, Chen YC, Yu WS, Chou YH, Wei CY, Cheng YM
1741 - 1749	Reaction dynamics of a photochromic fluorescing dithienylethene Ern J, Bens AT, Martin HD, Mukamel S, Tretiak S, Tsyganenko K, Kuldova K, Trommsdorff HP, Kryschi C
1750 - 1756	An extremely small reorganization energy of electron transfer in porphyrin-fullerene dyad Imahori H, Tkachenko NV, Vehmanen V, Tamaki K, Lemmetyinen H, Sakata Y, Fukuzumi S
1757 - 1766	Synthesis and excited state dynamics of mu-oxo group IV metal phthalocyanine dimers: A laser photoexcitation study Pelliccioli AP, Henbest K, Kwag G, Carvagno TR, Kenney ME, Rodgers MAJ
1767 - 1771	Time-resolved area-normalized emission spectroscopy (TRANES): A novel method for confirming emission from two excited states Koti ASR, Krishna MMG, Periasamy N
1772 - 1782	An infrared and X-ray absorption study of the equilibria and structures of chromate, bichromate, and dichromate in ambient aqueous solutions Hoffmann MM, Darab JG, Fulton JL
1783 - 1788	Electronic structures of very strong, neutral bases Novak I, Wei XM, Chin WS
1789 - 1796	Solvation of Mg(ClO4)(2) in deuterated acetonitrile studied by means of vibrational spectroscopy Cha JN, Cheong BS, Cho HG
1797 - 1804	Quasiclassical kinetics of the H-2+H-2 reaction and dissociation Ceballos A, Garcia E, Rodriguez A, Lagana A
1805 - 1810	Determination of rate constants of formation of O-2((1)Sigma(+)(g)), O-2((1)Delta(g)), and O-2((3)Sigma(-)(g)) in the quenching of triplet states by O-2 for compounds with incomplete intersystem crossing Shafii F, Schmidt R
1811 - 1817	Charge-transfer and non-charge-transfer processes competing in the sensitization of singlet oxygen: Formation of O-2((1)Sigma(+)(g)), O-2((1)Delta(g)), and 0(2)((3)Sigma(-)(g)) during oxygen quenching of triplet excited naphthalene derivativest Schmidt R, Shafii F, Schweitzer C, Abdel-Shafi AA, Wilkinson F
1818 - 1829	Observation of the turnover between the solvent friction (overdamped) and tunneling (nonadiabatic) charge-transfer mechanisms for a Au/Fe(CN)(6)(3-/4-) electrode process and evidence for a freezing out of the Marcus barrier Khoshtariya DE, Dolidze TD, Zusman LD, Waldeck DH
1830 - 1837	Kinetic study of the mechanism of the low-temperature pyrolysis of vinyl bromide Laws PA, Hayley BD, Anthony LM, Roscoe JM
1838 - 1846	Infrared spectroscopic investigation of the heterogeneous reaction of HNO3 and NaCl(100) Sporleder D, Ewing GE
1847 - 1856	Ab initio MO study of the triplet C3H4 potential energy surface and the reaction of C(P-3(j)) with ethylene, C2H4 Le TN, Lee HY, Mebel AM, Kaiser RI
1857 - 1868	Regioreversed thermal and photochemical education of 10-methylacridinium and 1-methylquinolinium ions by organosilanes and oraganostannanes Fukuzumi S, Fujita M, Noura S, Ohkubo K, Suenobu T, Araki Y, Ito O
1869 - 1875	A combined experimental and theoretical study of the homogeneous, unimolecular decomposition kinetics of 3-chloropivalic acid in the gas phase Chuchani G, Rotinov A, Andres J, Domingo LR, Safont VS
1876 - 1881	Spectroscopy of hydrothermal reactions 15. The pH and counterion effects on the decarboxylation kinetics of the malonate system Gunawardena NR, Brill TB
1882 - 1889	Collision-induced dissociation in quadrupole ion traps: Application of a thermal model to diatomic ions Goeringer DE, Duckworth DC, McLuckey SA
1890 - 1896	Infrared spectroscopic studies of binary solutions of nitric acid and water and ternary solutions of nitric acid, sulfuric acid, and water at room temperature: Evidence for molecular nitric acid at the surface Yang HS, Finlayson-Pitts BJ
1897 - 1903	Silylene does react with carbon monoxide: Some gas-phase kinetic and theoretical studies Becerra R, Cannady JP, Walsh R
1904 - 1908	Ab initio study of the intermolecular interactions in small benzene clusters: The equilibrium structures of trimer, tetramer, and pentamer Gonzalez C, Lim EC
1909 - 1925	Molecular dynamics simulation of liquid H2O, MeOH, EtOH, Si(OMe)(4), and Si(OEt)(4), as a function of temperature and pressure Pereira JCG, Catlow CRA, Price GD
1926 - 1933	Reproducing Gaussian-3 total energy using fitted atomic correlation parameters for the rapid estimation of correlation energy from partial charges method and Hartree-Fock results Kristyan S, Ruzsinszky A, Csonka GI
1934 - 1943	Theoretical study of uracil tautomers. 2. Interaction with water Kryachko ES, Nguyen MT, Zeegers-Huyskens T
1944 - 1950	Effect of basis set superposition error (BSSE) upon ab initio calculations of organic transition states Kobko N, Dannenberg JJ
1951 - 1958	A new ab-initio approach for NMR chemical shifts in periodic systems Sebastiani D, Parrinello M
1959 - 1967	Fukui indices from perturbed Kohn-Sham orbitals and regional softness from mayer atomic valences Mineva T, Parvanov V, Petrov I, Neshev N, Russo N
1968 - 1978	Direct dynamic studies on tropospheric reactivity of fluorinated ethanes: Scope and limitations of the general reaction parameter method Sekusak S, Sabljic A
1979 - 1982	Theoretical studies on the potential energy surfaces of N-8 clusters Li QS, Wang LJ
1983 - 1987	An accurate description of the LiNe X (2)Sigma(+), A (2)Pi, and B (2)Sigma(+) states Kerkines ISK, Mavridis A
1988 - 2004	Electronic structure-factor, density matrices, and electron energy loss spectroscopy of conjugated oligomers Chernyak V, Volkov SN, Mukamel S
2005 - 2014	Methane to methanethiol conversion by FeS+. A combined experimental and theoretical study Barsch S, Schroder D, Schwarz H, Armentrout PB
2015 - 2022	Thermal decomposition pathways and rates for silane, chlorosilane, dichlorosilane, and trichlorosilane Walch SP, Dateo CE
2023 - 2030	Interaction of dichloromethane with the coordination sphere of palladium complexes: Toward a first solvation shell model Visentin T, Kochanski E, Moszynski R, Dedieu A
2031 - 2038	Interaction of dichloromethane with palladium complexes: A comparative symmetry-adapted perturbation theory, supermolecule, and self-consistent reaction field study Visentin T, Kochanski E, Moszynski R, Dedieu A
2039 - 2044	Proton potential in acetylacetone Mavri J, Grdadolnik J
2045 - 2051	Proton transfer dynamics in acetylacetone: A mixed quantum-classical simulation of vibrational spectra Mavri J, Grdadolnik J
2052 - 2063	New insights in chemical reactivity by means of electron pairing analysis Poater J, Sola M, Duran M, Fradera X
2064 - 2072	Charge-transfer complexes between the amines (CH3)(n)NH3-n (n=0-3) and the ClF molecule: An ab initio and density functional study on the intermolecular interaction Karpfen A
2073 - 2084	Thermochemical values of oxygen-containing compounds from ab initio calculations: 2. High accuracy enthalpies of formation of alcohols and ethers DeTar DF
2085 - 2090	Molecular structure of 2-butanimine, an unstable imine, as studied by gas electron diffraction combined with MP2 and DFT calculations Egawa T, Konaka S
2091 - 2098	Quantum chemical characterization of singlet and triplet didehydroindenes Cramer CJ, Thompson J
2099 - 2105	Optimal control of catalytic methanol conversion to formaldehyde Faliks A, Yetter RA, Floudas CA, Bernasek SL, Fransson M, Rabitz H
2106 - 2111	Photochemistry of 2,2,4,4-tetramethyl-3-thietan-1-ylidene: A heterocyclic carbene with an unusually short lifetime and evidence for a nonclassical structure Snoonian JR, Platz MS
2112 - 2116	Synthesis of monomeric Me2GaD via a beta-hydrogen elimination at high temperatures. A matrix-isolation study Muller J, Wittig B, Bendix S
2117 - 2124	A simple model to predict preferable aldol products from unsymmetrical ketones using local hard-soft acid-base concept Roy RK, Tajima N, Hirao K
2125 - 2126	Comment on "Experimental determination of the dependence of OH radical yield on photon energy: A comparison with theoretical simulations" by Fulford et al. (J-Phys. Chem. A 1999, 103, 11345-11349) Meesungnoen J, Filali-Mouhim A, Mankhetkorn S, Jay-Gerin JP