Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.115, No.24 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (52 articles)

6319 - 6320	Editorial: New Deputy Editors for The Journal of Physical Chemistry A, B, and C Schatz GC, Mccoy AB, Hammes-Schiffer S, Murphy CJ
6321 - 6326	Photoelectron Imaging and Theoretical Studies of Silver Monohalides AgX-(X = Cl, Br, I) and AuCl- Wu X, Xie H, Qin ZB, Tan K, Tang ZC, Lu X
6327 - 6338	Comparison of Hydrated Hydroperoxide Anion (HOO-)(H2O)(n) Clusters with Alkaline Hydrogen Peroxide (HOOH)(OH-)(H2O)(n-1) Clusters, n=1-8, 20: An ab Initio Study Anick DJ
6339 - 6346	Dissociation of Vibrational State-Selected O-2(+) Ions in the B-2 Sigma(g) State Using Threshold Photoelectron-Photoion Coincidence Velocity Imaging Tang XF, Zhou XG, Niu ML, Liu SL, Sheng LS
6347 - 6356	Hydrodynamic Interpretation on the Rotational Diffusion of Peroxylamine Disulfonate Solute Dissolved in Room Temperature Ionic Liquids As Studied by Electron Paramagnetic Resonance Spectroscopy Miyake Y, Akai N, Kawai A, Shibuya K
6357 - 6365	New Insights in the Atmospheric HONO Formation: New Pathways for N2O4 Isomerization and NO2 Dimerization in the Presence of Water Medeiros DD, Pimentel AS
6366 - 6375	Revisiting Fluorenone Photophysics via Dipolar Fluorenone Derivatives Estrada LA, Yarnell JE, Neckers DC
6376 - 6382	The Electronic Spectra of the Sandwich Stacked PFBT: A Theoretical Study Wang J, Gu JD, Leszczynski J
6383 - 6389	Structural Evolution and Stability of Hydrogenated Li-n (n=1-30) Clusters: A Density Functional Study Gautam S, Dharamyir K, Goel N
6390 - 6393	Substituent Effects on the Intramolecular Charge Transfer and Fluorescence of Bimetallic Platinum Complexes Zhao GJ, Yu FB, Zhang MX, Northrop BH, Yang HB, Han KL, Stang PJ
6394 - 6404	Features of Ar Solvation Shells in Neutral and Ionic Clustering: The Competitive Role of Two-Body and Many-Body Interactions Alberti M, Pirani F
6405 - 6412	Kinetics of the Reversible Reaction of CO2(aq) with Ammonia in Aqueous Solution Wang XG, Conway W, Fernandes D, Lawrance G, Burns R, Puxty G, Maeder M
6413 - 6425	Activation Energy Distributions Predicted by Dispersive Kinetic Models for Nucleation and Denucleation: Anomalous Diffusion Resulting from Quantization Skrdla PJ
6426 - 6431	Vibrational Spectroscopy of N-Methyliminodiacetic Acid (MIDA)-Protected Boronate Ester: Examination of the B-N Dative Bond Reinemann DN, Wright AM, Wolfe JD, Tschumper GS, Hammer NI
6432 - 6437	A Room-Temperature Fluorescence Study of Organofullerenes: cis-1 Bisadduct with Unusual Blue-Shifted Emissions Li ZJ, Yang WW, Gao X
6438 - 6455	Theoretical Unimolecular Kinetics for CH4 + M reversible arrow CH3 + H + M in Eight Baths, M = He, Ne, Ar, Kr, H-2, N-2, CO, and CH4 Jasper AW, Miller JA
6456 - 6471	Spectroscopy of Free-Base N-Confused Tetraphenylporphyrin Radical Anion and Radical Cation Aleman EA, Rocha JM, Wongwitwichote W, Mora-Tovar LAG, Modarelli DA
6472 - 6480	Spatial Distributions and Interstellar Reaction Processes Neill JL, Steber AL, Muckle MT, Zaleski DP, Lattanzi V, Spezzano S, McCarthy MC, Remijan AJ, Friedel DN, Weaver SLW, Pate BH
6481 - 6487	Pressure Effect on the Nonradiative Process of Thioflavin-T Amdursky N, Gepshtein R, Erez Y, Koifman N, Huppert D
6488 - 6492	Structural Origin and Energy Transfer Processes of 1.8 mu m Emission in Tm3+ Doped Germanate Glasses Xu RR, Tian Y, Hu LL, Zhang JJ
6493 - 6502	Activation Parameters Derived From a Temperature Dependent Large Amplitude ac Voltammetric Study of the Electrode Kinetics of the Cp2M0/+ Redox Couples (M = Fe, Co) at a Glassy Carbon Electrode Bullock JP, Mashkina E, Bond AM
6503 - 6508	Influence of Carbohydrate Biological Vectors on the Two-Photon Resonance of Porphyrin Oligomers Hammerer F, Achelle S, Baldeck P, Maillard P, Teulade-Fichou MP
6509 - 6517	Electron Spin Multiplicities of Transition-Metal Aromatic Radicals and Ions: M[C-6(CH3)(6)] and M+(C-6(CH3)(6)] (M = Ti, V, and Co) Lee JS, Lei YX, Yang DS
6518 - 6524	Are Uncatalyzed Bromate Oscillators Truly Gas-Free? Szabo E, Adamcikova L, Sevcik P
6525 - 6530	Measurement of Raman chi((3)) and Theoretical Estimation of DOVE Four Wave Mixing of Hydrogen Peroxide Zhao W
6531 - 6542	Vibrational Spectra and Structure of Cyclopentane and its Isotopomers Ocola EJ, Bauman LE, Laane J
6543 - 6550	Using the F-19 NMR Chemical Shift Anisotropy Tensor To Differentiate between the Zigzag and Chiral Forms of Fluorinated Single-Walled Carbon Nanotubes Kumari A, Dorai K
6551 - 6558	Titanium Oxide Complexes with Dinitrogen. Formation and Characterization of the Side-On and End-On Bonded Titanium Oxide-Dinitrogen Complexes in Solid Neon Zhou MF, Zhuang J, Zhou ZJ, Li ZH, Zhao YY, Zheng XM, Fan KN
6559 - 6567	Theoretical Studies on Reactions of the Stabilized H2COO with HO2 and the HO2 center dot center dot center dot H2O Complex Long B, Tan XF, Long ZW, Wang YB, Ren DS, Zhang WJ
6568 - 6574	Rate Constants for the Reactions between OH and Perfluorinated Alkenes Orkin VL, Poskrebyshev GA, Kurylo MJ
6575 - 6581	Solvation Structure and Ion Complexation of La3+ in a 1 Molal Aqueous Solution of Lanthanum Chloride Diaz-Moreno S, Ramos S, Bowron DT
6582 - 6588	Kinetics and Mechanism for the Sonophotocatalytic Degradation of p-Chlorobenzoic Acid He YH, Grieser F, Ashokkumar M
6589 - 6593	Structure and Electronic Properties of Amino Acid Ionic Liquids Mohajeri A, Ashrafi A
6594 - 6602	Structural and Spectral Properties of 4-Bromo-1-naphthyl Chalcones: A Quantum Chemical Study Nithya R, Santhanamoorthi N, Kolandaivel P, Senthilkumar K
6603 - 6609	Algorithms for Sampling a Quantum Microcanonical Ensemble of Harmonic Oscillators at Potential Minima and Conical Intersections Park K, Engelkemier J, Persico M, Manikandan P, Hase WL
6610 - 6616	Recoupled-Pair Bonding and 4-Electron 3-Center Bonding Units Harcourt RD
6617 - 6621	DFT Studies on a High Energy Density Cage Compound 4-Trinitroethyl-2,6,8,10,12-pentanitrohezaazaisowurtzitane Zhang JY, Du HC, Wang F, Gong XD, Huang YS
6622 - 6628	First-Principle Electronic, Elastic, and Optical Study of Cubic Gallium Nitride Usman Z, Cao CB, Nabi G, Kun DY, Khan WS, Mehmood T, Hussain S
6629 - 6640	A Density Functional Theory and Quantum Theory of Atoms-in-Molecules Analysis of the Stability of Ni(II) Complexes of Some Amino Alcohol Ligands Varadwaj PR, Cukrowski I, Perry CB, Marques HM
6641 - 6645	Calculations of pK(a) of Superacids in 1,2-Dichloroethane Trummal A, Rummel A, Lippmaa E, Koppel I, Koppel IA
6646 - 6656	Computed Vibrational Frequencies of Actinide Oxides AnO(0/+/2+) and AnO(2)(0/+/2+) (An = Th, Pa, U, Np, Pu, Am, Cm) Kovacs A, Konings RJM
6657 - 6663	An Exact Stoichiometric Representation of the Resonance Energy Fishtik I
6664 - 6674	A Theoretical Study of the H-Abstraction Reactions from HOI by Moist Air Radiolytic Products (H, OH, and O (P-3)) and Iodine Atoms (P-2(3/2)) Hammaecher C, Canneaux S, Louis F, Cantrel L
6675 - 6682	Empirical Correlation Methods for Temporary Anions Sommerfeld T, Weber RJ
6683 - 6687	Structure of the [M+H-H2O](+) Ion from Tetraglycine: A Revisit by Means of Density Functional Theory and Isotope Labeling Verkerk UH, Zhao JF, Van Stipdonk MJ, Bythell BJ, Oomens J, Hopkinson AC, Siu KM
6688 - 6701	Bonding Nature and Vibrational Signatures of Oxirane:(Water)(n=1-3). Assessment of the Performance of the Dispersion-Corrected DFT Methods Compared to the ab initio Results and Fourier Transform Infrared Experimental Data Cirtog M, Alikhani ME, Madebene B, Soulard P, Asselin P, Tremblay B
6702 - 6708	Structure and Torsional Properties of Oxalyl Chloride Fluoride in the Gas Phase: An Electron-Diffraction Investigation Friesen DT, Johnson RJG, Hedberg L, Hedberg K
6709 - 6716	Shapes of Sulfur, Oxygen, and Nitrogen Mustards Nadas J, Zhang XH, Hay BP
6717 - 6723	Pro-oxidant Activity of Aluminum: Stabilization of the Aluminum Superoxide Radical Ion Mujika JI, Ruiperez F, Infante I, Ugalde JM, Exley C, Lopez X
6724 - 6731	Aromatic Character of Polycyclic pi Systems Formed by Fusion of Two or More Rings of the Same Size Sekine R, Nakagami Y, Aihara J
6732 - 6737	Designing Novel Materials through Functionalization of Carbon Nanotubes for Application in Nuclear Waste Management: Speciation of Uranyl Sundararajan M, Ghosh SK
6738 - 6738	Theoretical Determination of One-Electron Redox Potentials for DNA Bases, Base Pairs, and Stacks (vol 115, pg 4804, 2011) Paukku Y, Hill G