Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.117, No.24 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (25 articles)

4997 - 5006	Hydration of Barium Monohydroxide in (H2O)(1-3) Clusters: Theory and Experiment Cabanillas-Vidosa I, Rossa M, Pino GA, Ferrero JC, Cobos CJ
5007 - 5014	Mechanisms and Risk Assessments on the N-Nitration of N-Acetylhexahydro-s-triazines: Understanding the Preparation of RDX (2) Chen XF, Yang K, Wang BZ
5015 - 5022	Gas Phase Measurements of the Stabilization and Solvation of Metal Dications in Clusters of Ammonia and Methanol Chen XJ, Stace AJ
5023 - 5027	Nucleophilic and Electrophilic Reactions of Polyynes Catalyzed by an Electric Field: Toward Barcoding of Carbon Nanotubes Like Long Homogeneous Substrates Yosipof A, Basch H, Hoz S
5028 - 5041	Reaction Kinetics of Hydrogen Abstraction Reactions by Hydroperoxyl Radical from 2-Methyltetrahydrofuran and 2,5-Dimethyltetrahydrofura Chakravarty HK, Fernandes RX
5042 - 5051	Role of Vibrational and Translational Energy in the OH + NH3 Reaction: A Quasi-Classical Trajectory Study Monge-Palacios M, Espinosa-Garcia J
5052 - 5060	Quantum Manifestation of Roaming in H plus MgH -> Mg + H-2: The Birth of Roaming Resonances Li AY, Li J, Guo H
5061 - 5072	Theoretical Analysis of the Influence of Chelate-Ring Size and Vicinal Effects on Electronic Circular Dichroism Spectra of Cobalt(III) EDDA-Type Complexes Wang A, Wang YK, Jia J, Feng LX, Zhang CX, Liu LL
5073 - 5081	Microwave Spectrum, Conformational Properties, and Dipole Moment of Cyclopropylmethyl lsocyanide (C3H5CH2NC) Samdal S, Mollendal H, Guillemin JC
5082 - 5092	Theoretical and Experimental Studies of Circular Dichroism of Mono-and Diazonia[6]helicenes Nakai Y, Mori T, Sato K, Inoue Y
5093 - 5105	Reaction Rate and Isomer-Specific Product Branching Ratios of C2H + C4H8: 1-Butene, cis-2-Butene, trans-2-Butene, and Isobutene at 79 K Bouwman J, Fournier M, Sims IR, Leone SR, Wilson KR
5106 - 5116	Theoretical Studies on Gas-Phase Reactions of Sulfuric Acid Catalyzed Hydrolysis of Formaldehyde and Formaldehyde with Sulfuric Acid and H2SO4 center dot center dot center dot H2O Complex Long B, Tan XF, Chang CR, Zhao WX, Long ZW, Ren DS, Zhang WJ
5117 - 5123	OH Radical-Initiated Chemistry of Isoprene in Aqueous Media. Atmospheric Implications Kameel FR, Hoffmann MR, Colussi AJ
5124 - 5131	Prebiotic Chemistry within a Simple Impacting Icy Mixture Goldman N, Tamblyn I
5132 - 5139	Connection of DFT Molecular Orbital Eigenvalues with the Observable Oxidation Potentials/Oxidation Energies Chen JH, He LM, Wang RL
5140 - 5148	C-O Bond Cleavage of Dimethyl Ether by Transition Metal Ions: A Systematic Study on Catalytic Properties of Metals and Performance of DFT Functionals Liu C, Peterson C, Wilson AK
5149 - 5160	Fragmentation of Allylmethylsulfide by Chemical Ionization: Dependence on Humidity and Inhibiting Role of Water Maihom T, Schuhfried E, Probst M, Limtrakul J, Mark TD, Biasioli F
5161 - 5170	The Competitive O-H versus C-H Bond Activation of Ethanol and Methanol by VO2+ in Gas Phase: A DFT Study Zhao LM, Tan M, Chen J, Ding QY, Lu XQ, Chi YH, Yang GW, Guo WY, Fu QT
5171 - 5177	Novel Two-Dimensional Tetragonal Monolayer: Metal-TCNQ Networks Ma YD, Dai Y, Wei W, Yu L, Huang BB
5178 - 5183	Bridging Gold in Electron-Deficient Al2Aun0/- and BAlAun0/- (n=1-3) Clusters Yao WZ, Liu BT, Lu ZH, Li SD
5184 - 5194	Evolution of Electric Dipole (Hyper)polarizabilities of beta-Strand Polyglycine Single Chains: An ab Initio and DFT Theoretical Study Alparone A
5195 - 5204	Molecular Energetics of Alkyl Pyrrolecarboxylates: Calorimetric and Computational Study Santos AFLOM, da Silva MAVR
5205 - 5210	Ab Initio Path Integral Simulations for the Fluoride Ion-Water Clusters: Competitive Nuclear Quantum Effect Between F--Water and Water-Water Hydrogen Bonds Kawashima Y, Suzuki K, Tachikawa M
5211 - 5219	Determination of Proton Affinities and Acidity Constants of Sugars Feng ST, Bagia C, Mpourmpakis G
5220 - 5220	High-Accuracy Theoretical Thermochemistry of Atmospherically Important Sulfur-Containing Molecules (vol 115, pg 7823, 2011) Nagy B, Szakacs P, Csontos J, Rolik Z, Tasi G, Kallay M