Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.113, No.25 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (38 articles)

6851 - 6858	Quantum State Distribution of the OH X-2 Pi Products from Collisional Quenching of OH A(2)Sigma(+) by O-2 and CO2 Dempsey LP, Sechler TD, Murray C, Lester MI
6859 - 6864	Ammonia-Water Cation and Ammonia Dimer Cation Kim H, Lee HM
6865 - 6875	Prediction of the Size Distributions of Methanol-Ethanol Clusters Detected in VUV Laser/Time-of-Flight Mass Spectrometry Liu Y, Consta S, Shi YJ, Lipson RH, Goddard WA
6876 - 6879	Arnold Tongue of Electrochemical Nonlinear Oscillators Nakata S, Miyazaki K, Izuhara S, Yamaoka H, Tanaka D
6880 - 6885	Charge Transfer Interaction of Intermolecular Hydrogen Bonds in 7-Azaindole(MeOH)(n) (n=1, 2) with IR-Dip Spectroscopy and Natural Bond Orbital Analysis Kageura Y, Sakota K, Sekiya H
6886 - 6890	Highly Anisotropic Exchange Interactions in a Trigonal Bipyramidal Cyanide-Bridged (Ni3Os2III)-Os-II Cluster Palii AV, Reu OS, Ostrovsky SM, Klokishner SI, Tsukerblat BS, Hilfiger M, Shatruk M, Prosvirin A, Dunbar KR
6891 - 6894	Simulating the Initial Stage of Phenolic Resin Carbonization via the ReaxFF Reactive Force Field Jiang DE, van Duin ACT, Goddard WA, Dai S
6895 - 6903	X-ray Absorption Fine Structure Study of the Effect of Protonation on Disorder and Multiple Scattering in Phosphate Solutions and Solids Rouff AA, Rabe S, Nachtegaal M, Vogel F
6904 - 6909	Influence of Solvent on Photoinduced Electron-Transfer Reaction: Time-Resolved Resonance Raman Study Mohapatra H, Umapathy S
6910 - 6918	Stark Effect of Intrinsic and Extrinsic Charge-Transfer Excitons in a Linear Donor-Acceptor Stack: Anthracene-Pyromellitic Dianhydride Weiser G, Elschner A
6919 - 6923	Thermochemical Capture of Carbon Dioxide on Lithium Aluminates (LiAlO2 and Li5AlO4): A New Option for the CO2 Absorption Avalos-Rendon T, Casa-Madrid J, Pfeiffer H
6924 - 6935	Theoretical Kinetic Study of the Reactions of Cycloalkylperoxy Radicals Sirjean B, Glaude PA, Ruiz-Lopez MF, Fournet R
6936 - 6946	Conformer Lifetimes of Ethyl Cyanoformate from Exchange-Averaged Rotational Spectra True NS
6947 - 6954	Temperature and Anharmonic Effects on the Infrared Absorption Spectrum from a Quantum Statistical Approach: Application to Naphthalene Basire M, Parneix P, Calvo F, Pino T, Brechignac P
6955 - 6963	Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation Gao YD, DeYonker NJ, Garrett EC, Wilson AK, Cundari TR, Marshall P
6964 - 6970	On the Electric Dipole Moments of Asymmetric Tops: Measurement by High-Resolution Electronic Spectroscopy in the Gas Phase Miller DM, Morgan PJ, Pratt DW
6971 - 6978	Kinetic Rates and Linear Free Energy Relationships for Water Dissociation on Transition and Noble Metal Dimers Zeinalipour-Yazdi CD, van Santen RA
6979 - 6986	Benzoxyl Radical Decomposition Kinetics: Formation of Benzaldehyde plus H, Phenyl + CH2O, and Benzene plus HCO da Silva G, Bozzelli JW
6987 - 6993	Chiral Cooperativity and Solvent-Induced Tautomerism Effects in Electronic Circular Dichroism Spectra of [2.2]Paracyclophane Ketimines Warnke I, Ay S, Brase S, Furche F
6994 - 7001	Thermodynamics and Kinetics of Methylglyoxal Dimer Formation: A Computational Study Krizner HE, De Haan DO, Kua J
7002 - 7010	How Phenol and alpha-Tocopherol React with Ambient Ozone at Gas/Liquid Interfaces Enami S, Hoffmann MR, Colussi AJ
7011 - 7020	Atmospheric Chemistry of n-Butanol: Kinetics, Mechanisms, and Products of Cl Atom and OH Radical Initiated Oxidation in the Presence and Absence of NOx. Hurley MD, Wallington TJ, Lauirsen L, Javadi MS, Nielsen OJ, Yamanaka T, Kawasaki M
7021 - 7029	Characterization of gamma-Ga2O3-Al2O3 Prepared by Solvothermal Method and Its Performance for Methane-SCR of NO Nakatani T, Watanabe T, Takahashi M, Miyahara Y, Deguchi H, Iwamoto S, Kanai H, Inoue M
7030 - 7038	Effect of Ozone and Relative Humidity on the Heterogeneous Uptake of Octamethylcyclotetrasiloxane and Decamethylcyclopentasiloxane on Model Mineral Dust Aerosol Components Navea JG, Xu SH, Stanier CO, Young MA, Grassian VH
7039 - 7047	Characterizing Internally Mixed Insoluble Organic Inclusions in Aqueous Aerosol Droplets and Their Influence on Light Absorption Laurain AMC, Reid JP
7048 - 7053	Anode Distance Effect on Field Electron Emission from Carbon Nanotubes: A Molecular/Quantum Mechanical Simulation He CS, Wang WL, Deng SZ, Xu NS, Li ZB, Chen GH, Peng J
7054 - 7063	Twisting the Phenyls in Aryl Diphosphenes (Ar-P=P-Ar). Significant Impact upon Lowest Energy Excited States Peng HL, Payton JL, Protasiewicz JD, Simpson MC
7064 - 7072	Ion-Pair Binding Energies of Ionic Liquids: Can DFT Compete with Ab Initio-Based Methods? Izgorodina EI, Bernard UL, MacFarlane DR
7073 - 7079	Theoretical Studies of the Nucleophilic Substitution of Halides and Amine at a Sulfonyl Center Sung DD, Kim TJ, Lee I
7080 - 7089	DFT-Based Methods in the Design of Two-Photon Operated Molecular Switches Mikhailov IA, Belfield KD, Masunov AE
7090 - 7096	Computational Design of a Light-Driven Molecular Motor Albu NM, Bergin E, Yaron DJ
7097 - 7102	Probing the Strength Changes in C-H and C-C Bonds for Cation/pi Complexes Wang Y, Xu Z, Gao Y, Zhang LQ, Li HR
7103 - 7111	Theoretical Survey of the Potential Energy Surface of Ti+ + Methanol Reaction Zhang FY, Guo WY, Zhao LM, Lin XQ, Zhang LZ, Zhu HY, Shan HH
7112 - 7123	Modeling and Investigation of Interfacial Interaction between PLA and One Type of Deficient Hydroxyapatite Guo T, Zhou SB, Zheng XT, Jiang J
7124 - 7132	Theoretical Study of the Electronic Structure of [TCNQ](2)(2-) (TCNQ=7,7,8,8-Tetracyano-p-quinodimethane) Dimers and Their Intradimer, Long, Multicenter Bond in Solution and the Solid State Garcia-Yoldi I, Miller JS, Novoa JJ
7133 - 7137	Acceptor Tunneling Motion and O-H Stretching Vibration Overtones of the Water Dimer Hanninen V, Salmi T, Halonen L
7138 - 7154	Probing Nuclear Dynamics in Momentum Space: A New Interpretation of (e, 2e) Electron Impact Ionization Experiments on Ethanol Hajgato B, Deleuze MS, Morini F
7155 - 7160	Theoretical Study of Spectral Intensities of Formaldehyde in the Discrete and Continuum Regions Lavin C, Velasco AM, Vega MV, Marin I, Pitarch-Ruiz J, Marin JS