Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.119, No.51 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (34 articles)

12587 - 12598	Multistate-Mediated Rearrangements and FeCl2 Elimination in Dinuclear FePd Complexes Gaffga M, Munstein I, Muller P, Lang J, Thiel WR, Niedner-Schatteburg G
12599 - 12606	Rotational Excitation of the OH+ Radical by Collision with H at Low Temperature Stoecklin T, Gannouni MA, Jaidane NE, Halvick P, Hochlaf M
12607 - 12614	Thermochemical and Kinetics of Hydrazine Dehydrogenation by an Oxygen Atom in Hydrazine-Rich Systems: A Dimer Model Spada RFK, Ferrao LFA, Roberto-Neto O, Lischka H, Machado FBC
12615 - 12626	Complementarity between Quantum and Classical Mechanics in Chemical Modeling. The H + HeH+ -> H-2(+) + He Reaction: A Rigourous Test for Reaction Dynamics Methods Esposito F, Coppola CM, De Fazio D
12627 - 12634	Hydrogen Isotope Exchange of Chlorinated Ethylenes in Aqueous Solution: Possibly a Termolecular Liquid Phase Reaction Gabricevic M, Lente G, Fabian I
12635 - 12647	Isomerization and Fragmentation of Cyclohexanone in a Heated Micro-Reactor Porterfield JP, Nguyen TL, Baraban JH, Buckingham GT, Troy TP, Kostko O, Ahmed M, Stanton JF, Daily JW, Ellison GB
12648 - 12655	Infrared and Visible Photodissociation Spectra of Rhodamine Ions at 3 K in the Gas Phase Jasik J, Navratil R, Nemec I, Roithova J
12656 - 12664	Hydrogen-Bonded Complexes of Phenylacetylene-Acetylene: Who is the Proton Donor? Verma K, Dave K, Viswanathan KS
12665 - 12671	Ultrafast Electronic Energy Transfer Beyond the Weak Coupling Limit in a Proximal but Orthogonal Molecular Dyad Hedley GJ, Ruseckas A, Benniston AC, Harriman A, Samuel IDW
12672 - 12685	7-Hydroxyflavone Revisited. 2. Substitution Effect on Spectral and Acid-Base Properties in the Ground and Excited States Serdiuk IE, Roshal AD
12686 - 12692	TD-DFT Study of the Double Excited-State Intramolecular Proton Transfer Mechanism of 1,3-Bis(2-pyridylimino)-4,7-dihydroxyisoindole Ma C, Yang YG, Li CZ, Liu YF
12693 - 12698	Understanding the On-Off Switching Mechanism in Cationic Tetravalent Group-V-Based Fluoride Molecular Sensors Using Orbital Analysis Usui K, Ando M, Yokogawa D, Irle S
12699 - 12705	Correlated Pair States Formed by Singlet Fission and Exciton-Exciton Annihilation Scholes GD
12706 - 12714	Time-Dependent Density Functional Theory Study of Low-Lying Absorption and Fluorescence Band Shapes for Phenylene-Containing Oligoacenes Jun Y
12715 - 12721	Fluorescence Up-Conversion Studies of [2,2'-Bipyridyl]-3,3'-diol in Octyl-beta-D-glucoside and Other Micellar Aggregates Satpathi S, Gavvala K, Hazra P
12722 - 12729	pH-Independent Charge Resonance Mechanism for UV Protective Functions of Shinorine and Related Mycosporine-like Amino Acids Matsuyama K, Matsumoto J, Yamamoto S, Nagasaki K, Inoue Y, Nishijima M, Mori T
12730 - 12735	Trapped Hydronium Radical Produced by Ultraviolet Excitation of Substituted Aromatic Molecule Hernandez FJ, Capello MC, Naito A, Manita S, Tsukada K, Miyazaki M, Fujii M, Broquier M, Gregoire G, Dedonder-Lardeux C, Jouvet C, Pino GA
12736 - 12741	Vibrational Calculations of Higher-Order Weakly Bound Complexes: The He3,4I2 Cases Valdes A, Prosmiti R
12742 - 12755	Matrix Infrared Spectroscopic and Quantum Chemical Investigations of the Group 5 Transition Metal Atom and CX4 Molecule (X = H, F, and Cl) Reaction Products Lyon JT, Cho HG, Andrews L
12756 - 12766	Theoretical Study of Sodium Effect on the Gasification of Carbonaceous Materials with Carbon Dioxide Calderon LA, Garza J, Espinal JF
12767 - 12780	High Temperature Chemistry of Chlorinated Acenaphthylene. 3C Bay Acetylene Additions and Annealing by Five-Membered Ring Shifts McIntosh GJ, Russell DK
12781 - 12789	Low-Pressure Photolysis of 2,3-Pentanedione in Air: Quantum Yields and Reaction Mechanism Bouzidi H, Djehiche M, Gierczak T, Morajkar P, Fittschen C, Coddeville P, Tomas A
12790 - 12796	Thermal Stability of Goethite-Bound Natural Organic Matter Is Impacted by Carbon Loading Feng WT, Klaminder J, Boily JF
12797 - 12804	Probing the Evaporation Dynamics of Ethanol/Gasoline Biofuel Blends Using Single Droplet Manipulation Techniques Corsetti S, Miles REH, McDonald C, Belotti Y, Reid JP, Kiefer J, McGloin D
12805 - 12822	Wavepacket Dynamics of the Axially Chiral Molecule Cl-O-O-Cl under Coherent Radiative Excitation and Including Electroweak Parity Violation Prentner R, Quack M, Stohner J, Willeke M
12823 - 12838	Toward a Global Analysis Method Based on Anharmonic Ladder Operators: Application to Hydrogen Sulfide ((H2S)-S-32) Carvajal M, Lemus R
12839 - 12844	Modeling Nanotube Caps: The Relationship Between Fullerenes and Caps Melle-Franco M, Brinkmann G, Zerbetto F
12845 - 12854	Cationic Methylene-Pyrene Isomers and Isomerization Pathways: Finite Temperature Theoretical Studies Rapacioli M, Simon A, Marshall CCM, Cuny J, Kokkin D, Spiegelman F, Jobin C
12855 - 12861	Conceptual Basis for Understanding C-C Bond Activation in Ethane by Second Row Transition Metal Carbides Sahoo S, Reber AC, Khanna SN
12862 - 12867	Assessing the Bonding Properties of Individual Molecular Orbitals Robinson PJ, Alexandrova AN
12868 - 12875	Strength of the Lewis-Bronsted Superacids Containing In, Sn, and Sb and the Electron Binding Energies of Their Corresponding Superhalogen Anions Czapla M, Skurski P
12876 - 12891	Benchmarking Ground-State Geometries and Vertical Excitation Energies of a Selection of P-Type Semiconducting Molecules with Different Polarity Bruckner C, Engels B
12892 - 12905	Four-Component Relativistic Density Functional Theory Calculations of EPR g- and Hyperfine-Coupling Tensors Using Hybrid Functionals: Validation on Transition-Metal Complexes with Large Tensor Anisotropies and Higher-Order Spin-Orbit Effects Gohr S, Hrobarik P, Repisky M, Komorovsky S, Ruud K, Kaupp M
12906 - 12907	Comment on "Computational Study on the Vinyl Azide Decomposition" Nguyen MT, Hang TD, Gritsan NP, Kiselev VG