Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.116, No.9 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (44 articles)

1975 - 1983	Oxygen Adsorption on beta-Quartz Model Surfaces: Some Insights from Density Functional Theory Calculations and Semiclassical Time-Dependent Dynamics Zazza C, Rutigliano M, Sanna N, Barone V, Cacciatore M
1984 - 1992	Strong Steric Hindrance Effect on Excited State Structural Dynamics of Cu(I) Diimine Complexes Gothard NA, Mara MW, Huang J, Szarko JM, Rolczynski B, Lockard JV, Chen LX
1993 - 2005	Ultrafast Dynamics of the Excited States of 1-(p-Nitrophenyl)-2-(hydroxymethyl)pyrrolidine Ghosh R, Palit DK
2006 - 2011	Temperature Dependence of OH(8;6) Equilibration in an Air-like Gas Ensemble Pritchard M, McCaffery AJ
2012 - 2017	The Growth of Ionic Crystals Based on the Halogenation of Copper Cluster Anions Luo Z, Smith JC, Woodward WH, Castleman AW
2018 - 2023	Exciton Spin Relaxation in Colloidal CdSe Quantum Dots at Room Temperature Ma H, Jin ZM, Zhang ZB, Li GF, Ma GH
2024 - 2031	Dielectric Studies on the Heterogeneity and Interfacial Property of Composites Made of Polyacene Quinone Radical Polymers and Sulfonated Polyurethanes Zhu D, Zhang J, Bin YZ, Xu CY, Shen J, Matsuo M
2032 - 2038	Intensity Enhancement of Weak O-2 a(1)Delta(g) -> X-3 Sigma(-)(g) Emission at 1270 nm by Collisions with Foreign Gases Hidemori T, Akai N, Kawai A, Shibuya K
2039 - 2048	The Effect of a Mild Base on Curcumin in Methanol and Ethanol Erez Y, Presiado I, Gepshtein R, Huppert D
2049 - 2054	Experimental and Theoretical Study of the Reactions between Vanadium Oxide Cluster Cations and Water Ma JB, Zhao YX, He SG, Ding XL
2055 - 2061	Study of Ion Specific Interactions of Alkali Cations with Dicarboxylate Dianions Murdachaew G, Valiev M, Kathmann SM, Wang XB
2062 - 2070	Chlorination of Lanthanum Oxide Gaviria JP, Navarro LG, Bohe AE
2071 - 2079	Vibrational Overtone Spectroscopy, Energy Levels, and Intensities of (CH3)(3)C-C C-H Perez-Delgado Y, Barroso JZ, Garofalo LA, Manzanares CE
2080 - 2088	Using Density Functional Theory To Interpret the Infrared Spectra of Flexible Cyclic Phosphazenes King AK, Plant DF, Golding P, Lawson MA, Davies PB
2089 - 2100	Theoretical Determination of the Rate Coefficient for the HO2 + HO2 -> H2O2+O-2 Reaction: Adiabatic Treatment of Anharmonic Torsional Effects Zhou DDY, Han KL, Zhang PY, Harding LB, Davis MJ, Skodje RT
2101 - 2108	Dimers of the Higher-Energy Conformer of Formic Acid: Experimental Observation Marushkevich K, Khriachtchev L, Rasanen M, Melavuori M, Lundell J
2109 - 2116	12-Hydroxy-1-azaperylene-Limiting Case of the ESIPT System: Enol-Keto Tautomerization in S-0 and S-1 States Deperasinska I, Gryko DT, Karpiuk E, Kozankiewicz B, Makarewicz A, Piechowska J
2117 - 2130	Polarized IR Spectra of the Hydrogen Bond in 2-Thiopheneacetic Acid and 2-Thiopheneacrylic Acid Crystals: H/D Isotopic and Temperature Effects Flakus HT, Rekik N, Jarczyk A
2131 - 2140	UV-Induced Unimolecular Photochemistry of Diketene Isolated in Cryogenic Inert Matrices Breda S, Reva I, Fausto R
2141 - 2146	Kinetics of Competitive Adsorption of beta-Casein and Methylene Blue on Hydrophilic Glass Qi ZM, Lu DF, Deng L, Matsuda N
2147 - 2153	Bifurcated Hydrogen Bond in Lithium Nitrate Trihydrate Probed by ab Initio Molecular Dynamics Muniz-Miranda F, Pagliai M, Cardini G, Righini R
2154 - 2160	Effect of Crown Ethers on the Ground and Excited State Reactivity of Samarium Diiodide in Acetonitrile Maity S, Choquette KA, Flowers RA, Prasad E
2161 - 2176	Determination of the Rate Constants for the NH2((XB1)-B-2) + NH2((XB1)-B-2) and NH2((XB1)-B-2) + H Recombination Reactions with Collision Partners CH4, C2H6, CO2, CF4, and SF6 at Low Pressures and 296 K. Part 2. Altinay G, Macdonald RG
2177 - 2183	Theoretical Verification of Nonthermal Microwave Effects on Intramolecular Reactions Kanno M, Nakamura K, Kanai E, Hoki K, Kono H, Tanaka M
2184 - 2191	Role of Bridge Energetics on the Preference for Hole or Electron Transfer Leading to Charge Recombination in Donor-Bridge-Acceptor Molecules Colvin MT, Ricks AB, Wasielewski MR
2192 - 2197	Enhancing Effect of Alcoholic Solvent on Hydrosulfite-Hydrogen Peroxide Chemiluminescence System Li RB, Chen H, Li Y, Lu C, Lin JM
2198 - 2208	Uptake Measurements of Acetic Acid on Ice and Nitric Acid-Doped Thin Ice Films over Upper Troposphere/Lower Stratosphere Temperatures Romanias MN, Zogka AG, Papadimitriou VC, Papagiannakopoulos P
2209 - 2224	Quantum Mechanical Study of Sulfuric Acid Hydration: Atmospheric Implications Temelso B, Morrell TE, Shields RM, Allodi MA, Wood EK, Kirschner KN, Castonguay TC, Archer KA, Shields GC
2225 - 2233	Acetaldehyde Solid State Reactivity at Low Temperature: Formation of the Acetaldehyde Ammonia Trimer Vinogradoff V, Duvernay F, Farabet M, Danger G, Theule P, Borget F, Guillemin JC, Chiavassa T
2234 - 2243	Validation of Interstitial Iron and Consequences of Nonstoichiometry in Mackinawite (Fe1+xS) Brgoch J, Miller GJ
2244 - 2260	Vibrational and Electronic Spectroscopy of Neutral Antimony Coordination Compounds of the 1,3-Dithiole-2-thione-4,5-dithiolate (dmit) Lopes LJS, Guerra ACO, Comerlato NM, Turci CC, Ferreira GB
2261 - 2267	Energetics and Structural Properties, in the Gas Phase, of trans-Hydroxycinnamic Acids Davalos JZ, Herrero R, Chana A, Guerrero A, Jimenez P, Santiuste JM
2268 - 2277	Calculation of Exchange Coupling Constants in Triply-Bridged Dinuclear Cu(II) Compounds Based on Spin-Flip Constricted Variational Density Functional Theory Seidu I, Zhekova HR, Seth M, Ziegler T
2278 - 2282	1/3 Magnetization Plateau Induced by Magnetic Field in Monoclinic CoV2O6 Yao XY
2283 - 2291	Methyl Dynamics Flattens Barrier to Proton Transfer in Crystalline Tetraacetylethane Kearley GJ, Stare J, Kutteh R, Daemen LL, Hartl MA, Eckert J
2292 - 2299	Theoretical Study of Inverted Sandwich Type Complexes of 4d Transition Metal Elements: Interesting Similarities to and Differences from 3d Transition Metal Complexes Kurokawa YI, Nakao Y, Sakaki S
2300 - 2308	FCl:PCX Complexes: Old and New Types of Halogen Bonds Alkorta I, Sanchez-Sanz G, Elguero J, Del Bene JE
2309 - 2321	Potential Energy Surfaces for Rearrangements of Berson Trimethylenemethanes Bozkaya U, Ozkan I
2322 - 2332	Nature of a Hydride-Halogen Bond. A SAPT-, QTAIM-, and NBO-Based Study Jablonski M, Palusiak M
2333 - 2342	Interaction of 2'-Deoxyadenosine with cis-2-Butene-1,4-dial: Computational Approach to Analysis of Multistep Chemical Reactions Sviatenko L, Gorb L, Hovorun D, Leszczynski J
2343 - 2351	Electron Affinities of Uracil: Microsolvation Effects and Polarizable Continuum Model Melichercik M, Pasteka LF, Neogrady P, Urban M
2352 - 2365	Conformers, Infrared Spectrum and UV-Induced Photochemistry of Matrix-Isolated Furfuryl Alcohol Araujo-Andrade C, Gomez-Zavaglia A, Reva ID, Fausto R
2366 - 2370	An ab Initio Study of the E (3)Pi(g) State of the Iodine Molecule Kalemos A, Valdes A, Prosmiti R
2371 - 2376	Hybrid Quantum Mechanical and Molecular Mechanics Study of the S(N)2 Reaction of CCl4 + OH- in Aqueous Solution: The Potential of Mean Force, Reaction Energetics, and Rate Constants Wang TT, Yin HY, Wang DY, Valiev M