Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.41 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (46 articles)

10071 - 10085	Statistical Rate Theory and Kinetic Energy-Resolved Ion Chemistry: Theory and Applications Armentrout PB, Ervin KM, Rodgers MT
10086 - 10095	The Role of Long-Range Forces in the Determination of Translational Kinetic Energy Release. Loss Of C4H4+ from the Benzene and Pyridine Cations Gridelet E, Locht R, Lorquet AJ, Lorquet JC, Leyh B
10096 - 10107	Modeling the Photophysics and Photochromic Potential of 1,2-Dihydronaphthalene (DHN): A Combined CASPT2//CASSCF-Topological and MMVB-Dynamical Investigation Tomasello G, Ogliaro F, Bearpark MJ, Robb MA, Garavelli M
10108 - 10112	A Study of the Photochemistry of Diazo Meldrum's Acid by Ultrafast Time-Resolved Spectroscopies Burdzinski G, Rehault J, Wang J, Platz MS
10113 - 10119	A Gaussian-3 Theoretical Study of Small Silicon-Lithium Clusters: Electronic Structures and Electron Affinities of SinLi- (n=2-8) Hao DS, Liu JR, Yang JC
10120 - 10124	Structure, Stability, Thermodynamic Properties, and Infrared Spectra of the Protonated Water Octamer H+(H2O)(8) Karthikeyan S, Park M, Shin I, Kim KS
10125 - 10133	Comprehensive Analysis of the Hydrogen Bond Network Morphology and OH Stretching Vibrations in Protonated Methanol-Water Mixed Clusters, H+(MeOH)(1)(H2O)(n) (n=1-8) Kuo JL, Xie ZZ, Bing D, Fujii A, Hamashima T, Suhara K, Mikami N
10134 - 10140	Relaxation of (CS2)(2)(-) to Its Global Minimum Mediated by Water Molecules: Photoelectron Imaging Study Habteyes T, Velarde L, Sanov A
10141 - 10146	Catalytic Oxidation of H-2 by N2O in the Gas Phase: O-Atom Transport with Atomic Metal Cations Blagojevic V, Bozovic A, Orlova G, Bohme DK
10147 - 10151	The Carbonate Radical: Its Reactivity with Oxygen, Ammonia, Amino Acids, and Melanins Clarke K, Edge R, Johnson V, Land EJ, Navaratnam S, Truscott TG
10152 - 10155	HfO2:X (X = Eu3+, Ce3+, Y3+) Sol Gel Powders for Ultradense Scintillating Materials LeLuyer C, Villanueva-Ibanez M, Pillonnet A, Dujardin C
10156 - 10167	Experimental and Theoretical Studies of Sodium Cation Interactions with D-Arabinose, Xylose, Glucose, and Galactose Heaton AL, Armentrout PB
10168 - 10177	Transient Phenomena in the Pulse Radiolysis of Oxoisoaporphine Derivatives in Acetonitrile De la Fuente JR, Kciuk G, Sobarzo-Sanchez E, Bobrowski K
10178 - 10184	Quantum Study of the Absorption Spectroscopy of Bis(triarylamine) Radical Cations Seibt J, Schaumloffel A, Lambert C, Engel V
10185 - 10192	Kinetics and Mechanism of the NCN+NO2 Reaction Studied by Experiment and Theory Yang TJ, Wang NS, Lee LC, Xu ZF, Lin MC
10193 - 10199	Excitation Energy Dependence of Photoinduced Processes in Pentathiophene-Perylene Bisimide Dyads with a Flexible Linker Fujitsuka M, Harada K, Sugimoto A, Majima T
10200 - 10209	Kinetic and Energetic Analysis of the Free Electron Transfer Baidak A, Naumov S, Brede O
10210 - 10219	Vibrational Spectra of Anhydrous and Monohydrated Caffeine and Theophylline Molecules and Crystals Balbuena PB, Blocker W, Dudek RM, Cabrales-Navarro FA, Hirunsit P
10220 - 10225	Infrared Multiple Photon Dissociation Spectra of Proton- and Sodium Ion-Bound Glycine Dimers in the N-H and O-H Stretching Region Atkins CG, Rajabi K, Gillis EAL, Fridgen TD
10226 - 10235	Experimental and Theoretical Study of the OH Vibrational Spectra and Overtone Chemistry of Gas-Phase Vinylacetic Acid Dunn ME, Shields GC, Takahashi K, Skodje RT, Vaida V
10236 - 10243	Interaction of Hydronium Ion with Dibenzo-18-crown-6: NMR, IR, and Theoretical Study Kriz J, Dybal J, Makrlik E, Budka J
10244 - 10249	Charge Transfer in Photoacids Observed by Stark Spectroscopy Silverman LN, Spry DB, Boxer SG, Fayer MD
10250 - 10256	Kinetics of Ion-Molecule Reactions with 2-Chloroethyl Ethyl Sulfide at 298 K: A Search for CIMS Schemes for Mustard Gas Midey AJ, Miller TM, Viggiano AA
10257 - 10263	Photoprocesses of Chloro-Substituted p-Benzoquinones Gorner H, von Sonntag C
10264 - 10273	Determining the Transition-State Structure for Different S(N)2 Reactions Using Experimental Nucleophile Carbon and Secondary alpha-Deuterium Kinetic Isotope Effects and Theory Westaway KC, Fang YR, MacMillar S, Matsson O, Poirier RA, Islam SM
10274 - 10279	Matrix Isolation Infrared Spectroscopic and Density Functional Theoretical Studies on the Reactions of Lanthanum Atoms with Acetylene Teng YL, Xu Q
10280 - 10286	Equilibria of 3-Pyridylmethanol with Copper(II). A Comparative Electron Spin Resonance Study by the Decomposition of Spectra in Liquid and Frozen Solutions Sipos R, Szabo-Planka T, Rockenbauer A, Nagy NV, Sima J, Melnik M, Nagypal I
10287 - 10293	Probing the R Lines in Tris(acetylacetonato) Chromium(III) and Tris(3-bromo-acetylacetonato) Chromium(III) by Luminescence and Excitation Line Narrowing Spectroscopy Riesen H, Dubicki L
10294 - 10304	Photophysics and Photochemistry of 1-Nitropyrene Arce R, Pino EF, Valle C, Agreda J
10305 - 10309	Evidence for the Role of Ions in Aerosol Nucleation Enghoff MB, Pedersen JOP, Bondo T, Johnson MS, Paling S, Svensmark H
10310 - 10314	Characterization of an LED Based Photoreactor to Degrade 4-Chlorophenol in an Aqueous Medium Using Coumarin (C-343) Sensitized TiO2 Ghosh JP, Langford CH, Achari G
10315 - 10324	Ozonolysis of Oleic Acid Adsorbed to Polar and Nonpolar Aerosol Particles Rosen EP, Garland ER, Baer T
10325 - 10332	Dependence of Charge-Transport Parameters on Static Correlation and Self-Interaction Energy: The Case of a 1,4-Bis(Phenylethynyl)Benzene Derivative Conjugated Molecule Sancho-Garcia JC, Perez-Jimenez AJ
10333 - 10347	Vibrational Spectra of alpha-Amino Acids in the Zwitterionic State in Aqueous Solution and the Solid State: DFT Calculations and the Influence of Hydrogen Bonding Chowdhry BZ, Dines TJ, Jabeen S, Withnall R
10348 - 10358	Investigating the Proton Transferring Route in a Heteroaromatic Compound Part I: A Trial to Develop Di- and Trifunctional Benzimidazole Model Compounds Inducing the Molecular Packing Structure with a Hydrogen Bond Network Totsatitpaisan P, Tashiro K, Chirachanchai S
10359 - 10364	A Multinuclear Solid-State NMR Study of Alkali Metal Ions in Tetraphenylborate Salts, M[BPh4] (M = Na, K, Rb and Cs): What Is the NMR Signature of Cation-pi Interactions? Wu G, Terskikh V
10365 - 10377	A Computational Study on Some Viable Targets for Gas-Phase Synthesis of Metal Complexes of the Cyclic (B6C)(-2) and Their Bonding Pattern Shahbazian S, Alizadeh S
10378 - 10385	Thermochemistry of 2-and 3-Thiopheneacetic Acids: Calorimetric and Computational Study Temprado M, Roux MV, Jimenez P, Foces-Foces C, Notario R
10386 - 10398	Mechanism of the Hydration of Carbon Dioxide: Direct Participation of H2O versus Microsolvation Nguyen MT, Matus MH, Jackson VE, Ngan VT, Rustad JR, Dixon DA
10399 - 10404	Nonconventional Hydrogen Bonds: A Theoretical Study of [uracil-L](-) (L = F, Cl, Br, I, Al, Ga, In) Complexes Martinez A, Dolgounitcheva O, Zakrzewski VG, Ortiz JV
10405 - 10412	Catalytic Role of Calix[4]hydroquinone in Acetone-Water Proton Exchange: A Quantum Chemical Study of Proton Transfer via Keto-Enol Tautomerism Zakharov A, Masunov AE, Dreuw A
10413 - 10419	Extrapolating to the One-Electron Basis Set Limit in Polarizability Calculations Junqueira GMA, Varandas AJC
10420 - 10428	A Theoretical Insight into the Reaction Mechanism of Photochemical Transposition from Pyrazole to Imidazole Su MD
10429 - 10434	Experimental and Molecular Dynamics Simulation Study of the Sublimation Energetics of Cyclopentadienyltricarbonylmanganese (Cymantrene) Picciochi R, Lopes JNC, Diogo HP, da Piedade MEM
10435 - 10435	Comment on "Local Lattice Structure Study of the Octahedral (CrO6)(9-) Clusters for Cr3+ Ion Doping in a Variety of Oxide Crystals by Simulating the Corresponding EPR and Optical Spectra" Garcia-Lastra JM, Barriuso MT, Aramburu JA, Moreno M
10436 - 10437	Initial Excited-State Structural Dynamics of Thymine Are Coincident with the Expected Photochemical Dynamics (vol 111A, pg 5130, 2007) Ng S, Yarasi S, Brost P, Loppnow GR