Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.29 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (33 articles)

6399 - 6400	Does an ethene/benzenium ion complex exist? A discrepancy between B3LYP and MP2 predictions Kolboe S, Svelle S
6401 - 6511	Molecular anions Simons J
6512 - 6516	Evaporation of ethanol and ethanol-water mixtures studied by time-resolved infrared spectroscopy Innocenzi P, Malfatti L, Costacurta S, Kidchob T, Piccinini M, Marcelli A
6517 - 6521	Laser-induced shock wave can spark triboluminescence of amorphous sugars Tsuboi Y, Seto T, Kitamura N
6522 - 6526	Excited state dynamics of meso-tetra(sulphonatophenyl) metalloporphyrins Goncalves PJ, De Boni L, Borissevitch IE, Zilio SC
6527 - 6532	Undissociated versus dissociated structures for water clusters and ammonia-water clusters: (H2O)(n) and NH3(H2O)(n-1) (n=5, 8, 9, 21). Theoretical study Karthikeyan S, Singh NJ, Kim KS
6533 - 6549	A computational study of the ground and excited state structure and absorption spectra of free-base N-confused porphine and free-base N-confused tetraphenylporphyrin Vyas S, Hadad CM, Modarelli DA
6550 - 6557	Theoretical study of Ca+-X and Y-Ca+-X complexes important in the chemistry of ionospheric calcium (X, Y = H2O, CO2, N-2, O-2, and O) Plowright RJ, Wright TG, Plane JMC
6558 - 6562	Analysis of the CO2 and NH3 reaction in an aqueous solution by 2D IR COS: Formation of bicarbonate and carbamate Park H, Jung YM, You JK, Hong WH, Kim JN
6563 - 6570	Structure-property relationship for two-photon absorbing multiporphyrins: Supramolecular assembly of highly-conjugated multiporphyrinic ladders and prisms Easwaramoorthi S, Jang SY, Yoon ZS, Lim JM, Lee CW, Mai CL, Liu YC, Yeh CY, Vura-Weis J, Wasielewski MR, Kim D
6571 - 6577	Isotopically selective infrared multiphoton dissociation of 2,3-dihydropyran Yokoyama A, Katsumata K, Ohba H, Akagi H, Saeki M, Yokoyama K
6578 - 6585	Dynamic complexity in the electrochemical oxidation of thiourea Feng JM, Gao QY, Lv XL, Epstein IR
6586 - 6591	Decomposition of hydrofluorocarbons in a dielectric-packed plasma reactor Mok YS, Demidyuk V, Whitehead JC
6592 - 6600	Effect of the surface-stimulated mode on the kinetics of homogeneous crystal nucleation in droplets Djikaev YS
6601 - 6608	Infrared spectroscopic properties of sodium bromide aerosols Minambres L, Sanchez MN, Castano F, Basterretxea FJ
6609 - 6620	Desorption of nitric acid from boehmite and gibbsite Ross MW, DeVore TC
6621 - 6629	Computational study on kinetics and mechanisms of unimolecular decomposition of succinic acid and its anhydride Chen HT, Chang JG, Musaev DG, Lin MC
6630 - 6635	Synergistic effect between NO2 and SO2 in their adsorption and reaction on gamma-alumina Ma QX, Liu YC, He H
6636 - 6645	Ozonolysis of geraniol-trans, 6-methyl-5-hepten-2-one, and 6-hydroxy-4-methyl-4-hexenal: Kinetics and mechanisms Leonardo T, da Silva EC, Arbilla G
6646 - 6666	Molecular structures and energetics of the (TiO2)(n) (n=1-4) clusters and their anions Li SG, Dixon DA
6667 - 6677	Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane Piccoli PMB, Koetzle TF, Schultz AJ, Zhurova EA, Stare J, Pinkerton AA, Eckert J, Hadzi D
6678 - 6689	Theoretical study of oxygen adsorption on pure Au-n+1(+) and doped MAun+ cationic gold clusters for M = Ti, Fe and n=3-7 Torres MB, Fernandez EM, Balbas LC
6690 - 6699	Toward understanding the nature of internal rotation barriers with a new energy partition scheme: Ethane and n-butane Liu SB, Govind N
6700 - 6707	Predicting reactivities of organic molecules. Theoretical and experimental studies on the aminolysis of phenyl acetates Galabov B, Ilieva S, Hadjieva B, Atanasov Y, Schaefer HF
6708 - 6714	High level a initio exploration on the conversion of carbon dioxide into oxazolidinones: The mechanism and regioselectivity Mu WH, Chasse GA, Fang DC
6715 - 6722	Are crystal polymorphs predictable? The case of sexithiophene Della Valle RG, Venuti E, Brillante A, Girlando A
6723 - 6731	Density functional theory study of the binding capability of tris(pyrazol-1-yl)methane toward Cu(I) and Ag(I) cations Casarin M, Forrer D, Garau F, Pandolfo L, Pettinari C, Vittadini A
6732 - 6740	A beta-naphthaleneimide-modified terthiophene exhibiting charge transfer and polarization through the short molecular axis. Joint spectroscopic and theoretical study Gonzalez SR, Casado J, Navarrete JTL, Blanco R, Segura JL
6741 - 6752	Assessing the performance of density functional theory for the electronic structure of metal-salens: The d(2)-metals Sears JS, Sherrill CD
6753 - 6759	pi-systems as simultaneous hydride and hydrogen bond acceptors Alkorta I, Blanco F, Elguero J
6760 - 6771	Scaled quantum chemical force fields for 1,1-difluorocyclopropane and the influence of vibrational anharmonicity McKean DC, Craig NC, Law MM
6772 - 6782	Ab initio study of acrylate polymerization reactions: Methyl methacrylate and methyl acrylate propagation Yu XR, Pfaendtner J, Broadbelt LJ
6783 - 6787	Helices of boron-nitrogen hexagons and decagons. A theoretical study Szakacs CE, Mezey PG