Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.122, No.12 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (27 articles)

3107 - 3114	How Partial Atomic Charges and Bonding Orbitals Affect the Reactivity of Aluminum Clusters with Water? Pembere AMS, Liu XH, Ding WH, Luo ZX
3115 - 3119	Methanol-Assisted Phthalimide Ring Opening: Concerted or Stepwise Mechanism? Chen WH, Gao XJJ, Gao XF
3120 - 3127	Rate Constants for the Reactions of OH Radical with the (E)/(Z) Isomers of CF3CF=CHCI and CHF2CF=CHCI Tokuhashi K, Uchimaru T, Takizawa K, Kondo S
3128 - 3139	Combined Experimental and Computational Investigation of the Elementary Reaction of Ground State Atomic Carbon (C; P-3(j)) with Pyridine (C5H5N; X(1)A(1)) via Ring Expansion and Ring Degradation Pathways Lucas M, Thomas AM, Kaiser RI, Bashkirov EK, Azyazov VN, Mebel AM
3140 - 3147	Application of Clustering Algorithms to Partitioning Configuration Space in Fitting Reactive Potential Energy Surfaces Guan YF, Yang S, Zhang DH
3148 - 3155	Pulse Radiolysis and Computational Studies on a Pyrrolidinium Dicyanamide Ionic Liquid: Detection of the Dimer Radical Anion Das L, Kumar R, Maity DK, Adhikari S, Dhiman SB, Wishart JF
3156 - 3162	Reaction F + C2H4: Rate Constant and Yields of the Reaction Products as a Function of Temperature over 298-950 K Bedjanian Y
3163 - 3169	Internal Rotation of OH Group in 4-Hydroxy-2-butynenitrile Studied by Millimeter-Wave Spectroscopy Motiyenko RA, Margules L, Senent ML, Guillemin JC
3170 - 3176	High-Frequency/High-Field Electron Paramagnetic Resonance and Theoretical Studies of Tryptophan-Based Radicals Davis I, Koto T, Terrell JR, Kozhanov A, Krzystek J, Liu AM
3177 - 3181	Rovibronic Spectroscopy of Sympathetically Cooled (CaH+)-Ca-40 Calvin AT, Janardan S, Condoluci J, Rugango R, Pretzsch E, Shu G, Brown KR
3182 - 3189	Photochromism of 2-(2-Hydroxyphenyl) Benzothiazole (HBT) and Its Derivatives: A Theoretical Study Iravani M, Omidyan R
3190 - 3203	EPR Analysis of Fe3+ and Mn2+ Complexation Sites in Fulvic Acid Extracted from Lignite Klencsar Z, Kontos Z
3204 - 3210	Photoreleasable Protecting Groups Triggered by Sequential Two-Photon Absorption of Visible Light: Release of Carboxylic Acids from a Linked Anthraquinone-N-Alkylpicolinium Ester Molecule Thum MD, Falvey DE
3211 - 3217	Gas-Phase Ion Spectroscopy of Congo Red Dianions and Their Complexes with Betaine Kjaer C, Lisy JM, Nielsen SB
3218 - 3226	Twisted Intramolecular Charge Transfer States in Trinary Star-Shaped Triphenylamine-Based Compounds Peckus D, Matulaitis T, Franckevicius M, Mimaite V, Tamulevicius T, Simokaitiene J, Volyniuk D, Gulbinas V, Tamulevicius S, Grazulevicius JV
3227 - 3237	Assessment of Real-Time Time-Dependent Density Functional Theory (RT-TDDFT) in Radiation Chemistry: Ionized Water Dimer Chalabala J, Uhlig F, Slavicek P
3238 - 3249	PAH/Aromatic Tar and Coke Precursor Formation in the Early Stages of Triglyceride (Triolein) Pyrolysis Alhroub I, Kozliak E, Kubatova A, Sulkes M
3250 - 3260	Effects of Gas-Particle Partitioning on Refractive Index and Chemical Composition of m-Xylene Secondary Organic Aerosol Li K, Li JL, Wang WG, Li JJ, Peng C, Wnag D, Ge MF
3261 - 3269	Can Urea Be a Seed for Aerosol Particle Formation in Air? Kumar M, Trabelsi T, Francisco JS
3270 - 3279	Theoretical Investigation into Rate-Determining Factors in Electrophilic Aromatic Halogenation Liljenberg M, Stenlid JH, Brinck T
3280 - 3286	Carbon-Hydrogen Activation in Zerovalent Bis(1,5-cyclooctadiene) Complexes of the First Row Transition Metals: A Theoretical Study Hu J, Feng H, Xie YM, King RB, Schaefer HF
3287 - 3292	Molecular Structure of Isocyanic Acid, HNCO, the Imide of Carbon Dioxide Evers J, Krumm B, Axthammer QJ, Martens J, Blaha P, Steemann FX, Reith T, Mayer P, Klapotke TM
3293 - 3300	Identification of Intermediates during the Hydration of Na-8[AlSiO4](6)(BH4)(2): A Combined Theoretical and Experimental Approach Schneider AG, Schomborg L, Ruscher CH, Bredow T
3301 - 3312	Predicting Nucleation of Isonicotinamide from the Solvent-Solute Interactions of Isonicotinamide in Common Organic Solvents Lynch MB, Lawrence SE, Nolan M
3313 - 3319	Fostering the Basic Instinct of Boron in Boron-Beryllium Interactions Montero-Campillo MM, Alkorta I, Elguero J
3320 - 3327	Design of New Bridge-Ring Energetic Compounds Obtained by Diels-Alder Reactions of Tetranitroethylene Dienophile He P, Mei HZ, Wu L, Yang JQ, Zhang JG, Cohen A, Gozin M
3328 - 3336	Tuning Heterocalixarenes to Improve Their Anion Recognition: A Computational Approach Ortolan AO, Ostrom I, Caramori GF, Parreira RLT, da Silva EH, Bickelhaupt FM