Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.123, No.4 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (25 articles)

715 - 722	Mechanism of the Chemiluminescent Reaction between Nitric Oxide and Ozone Gudem M, Hazra A
723 - 741	Cl Atom Initiated Photo-oxidation of Mono-chlorinated Propanes To Form Carbonyl Compounds: A Kinetic and Mechanistic Approach Kumar A, Rajakumar B
742 - 749	Relationship between Energetic Performance and Clustering Effects on Incremental Nitramine Groups: A Theoretical Perspective Xu HJ, Peng LJ, Wang JB, Ren HS, Zhu Q, Li XY
750 - 763	Kinetics of the Hydrogen Abstraction PAH + (OH)-O-center dot -> PAH Radical + H2O Reaction Class: An Application of the Reaction Class Transition State Theory (RC-TST) and Structure-Activity Relationship (SAR) Baradyn M, Ratkiewicz A
764 - 770	Origin of Bath Gas Dependence in Unimolecular Reaction Rates Matsugi A
771 - 779	IVR Dynamics of Vibrational Levels of the v(1) Mode in (CF3)(2)C=C=O Molecules Excited by Resonant IR Femtosecond Radiation Laptev VB, Kompanets VO, Pigulsky SV, Makarov AA, Mishakov GV, Serebryakov DV, Sharkov AV, Chekalin SV, Ryabov EA
780 - 795	Oxidation of a Levitated 1-Butyl-3-methylimidazolium Dicyanoborate Droplet by Nitrogen Dioxide Lucas M, Brotton SJ, Sprenger JAP, Finze M, Sharma SK, Kaiser RI
796 - 810	DFT Research on Benzothiophene Pyrolysis Reaction Mechanism Li TS, Li J, Zhang HL, Sun KN, Xiao J
811 - 822	Production of Aliphatic and Aromatic Compounds in the High Temperature Decomposition of Propargyl Chloride. Single Pulse Shock Tube Experiments, Quantum Chemical Calculations, and Computer Modeling Dubnikova F, Tamburu C, Lifshitz A
823 - 830	Unveiling New Isomers and Rearrangement Routes on the C7H8+ Potential Energy Surface Jacovella U, da Silva G, Bieske EJ
831 - 840	Quantum Microcanonical Entropy, Boltzmann's Equation, and the Second Law Lotshaw PC, Kellman ME
841 - 850	Phototransformations of 2-(1,2,4-Triazol-3-yl)benzoic Acid in Low Temperature Matrices Pagacz-Kostrzewa M, Saldyka M, Bil A, Gul W, Wierzejewska M, Khomenko DM, Doroschuk RO
851 - 861	Density Functional Theory Descriptors for Ionic Liquids and the Charge-Transfer Interpretation of the Haven Ratio Philippi F, Rauber D, Springborg M, Hempelmann R
862 - 872	Conformational Preferences of Isolated Glycylglycine (Gly-Gly) Investigated with IRMPD-VUV Action Spectroscopy and Advanced Computational Approaches Yatsyna V, Mallat R, Gorn T, Schmit M, Feifel R, Rijs AM, Zhaunerchyk V
873 - 880	Determination of Secondary Species in Solution through Pump-Selective Transient Absorption Spectroscopy and Explicit-Solvent TDDFT Turner MAP, Horbury MD, Stayros VG, Hine NDM
881 - 888	Borepin Rings as "Sigma-Free" Reporters of Aromaticity within Polycyclic Aromatic Scaffolds Messersmith RE, Tovar JD
889 - 905	Surface Speciation of Brucite Dissolution in Aqueous Mineral Carbonation: Insights from Density-Functional Theory Simulations Azizi D, Larachi F
906 - 919	Multigenerational Theoretical Study of Isoprene Peroxy Radical 1-5-Hydrogen Shift Reactions that Regenerate HOx Radicals and Produce Highly Oxidized Molecules Piletic IR, Howell R, Bartolotti LJ, Kleindienst TE, Kaushik SM, Edney EO
920 - 932	The Importance of Peroxy Radical Hydrogen-Shift Reactions in Atmospheric Isoprene Oxidation Moller KH, Bates KH, Kjaergaard HG
933 - 942	A Statistical Model and DFT Study of the Fragmentation Mechanisms of Metronidazole by Advanced Oxidation Processes Xu LJ, Li WY, Desesquelles P, Van-Oanh NT, Thomas S, Yang J
943 - 950	Algebraic Reconstruction Technique for Diffusion NMR Experiments. Application to the Molecular Weight Prediction of Polymers Arrabal-Campos FM, Aguilera-Saez LM, Fernandez I
951 - 957	Absolute Nonlinear Refractive Index Spectra Determination of Organic Molecules in Solutions Melhado MD, Barbano EC, Vivas MG, Zilio SC, Misoguti L
958 - 965	Direct Anti-Markovnikov Addition of Water to Olefin To Synthesize Primary Alcohols: A Theoretical Study Ceylan YS, Cundari TR
966 - 966	Comment on "Thermochemical and Kinetics of the CH3OH + (S-4)N Reactional System" Roscoe JM
967 - 969	Reply to "Comment on 'Thermochemical and Kinetics of the CH3OH+(S-4)N Reactional System''' Ferreira RM, Roberto-Neto O, Machado FBC, Spada RFK