Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.118, No.40 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (34 articles)

9281 - 9295	Dynamics of Chlorine Atom Reactions with Hydrocarbons: Insights from Imaging the Radical Product in Crossed Beams Joalland B, Shi YY, Estillore AD, Kamasah A, Mebel AM, Suits AG
9296 - 9309	Kinetic Modeling of a-Hydrogen Abstractions from Unsaturated and Saturated Oxygenate Compounds by Hydrogen Atoms Paraskevas PD, Sabbe MK, Reyniers MF, Papayannakos NG, Marin GB
9310 - 9318	Modeling Spin-Forbidden Monomer Self-Initiation Reactions in Spontaneous Free-Radical Polymerization of Acrylates and Methacrylates Liu S, Srinivasan S, Tao JM, Grady MC, Soroush M, Rappe AM
9319 - 9329	Radiation-Induced Pink Nickel Oligomeric Clusters in Water. Pulse Radiolysis Study Hioul ML, Lin MZ, Belloni J, Keghouche N, Marignier JL
9330 - 9337	Kinetics and Dynamics on the Formation of S-2(X-3 Sigma(-)(g),a(1)Delta(g)) in the S(D-1) + OCS Reaction Yamashita J, Fujihara K, Takahashi O, Kohguchi H, Yamasaki K
9338 - 9346	Mechanism of Thermal Decomposition of Tetrabromobisphenol A (TBBA) Altarawneh M, Dlugogorski BZ
9347 - 9356	Unimolecular Reactions of 1,1,1-Trichloroethane, 1,1,1-Trichloropropane, and 3,3,3-Trifluoro-1,1,1-trichloropropane: Determination of Threshold Energies by Chemical Activation Turpin MA, Smith KC, Heard GL, Setser DW, Holmes BE
9357 - 9363	Experimental Binding Energies for the Metal Complexes [Mg(CH3OH)(n)](2+), [Ca(CH3OH)(n)](2+), and [Sr(CH3OH)(n)](2+) for n in the Range 4-20 Bruzzi E, Stace AJ
9364 - 9379	Thermochemistry of C7H16 to C10H22 Alkane Isomers: Primary, Secondary, and Tertiary C-H Bond Dissociation Energies and Effects of Branching Hudzik JM, Bozzelli JW, Simmie JM
9380 - 9385	Octacoordinate Metal Carbonyls of Lanthanum and Cerium: Experimental Observation and Theoretical Calculation Xie H, Wang J, Qin ZB, Shi L, Tang ZC, Xing XP
9386 - 9396	ZEKE Photoelectron Spectroscopy of p-Fluorophenol center dot center dot center dot H2S/H2O Complexes and Dissociation Energy Measurement Using the Birge-Sponer Extrapolation Method Bhattacharyya S, Wategaonkar S
9397 - 9410	Demonstration of Multiple Logic Operations in a Heteroditopic Pyrene-Phenylimidazole-Terpyridine Conjugate Based on Optical Responses by Selective Anions and Cations: An Experimental and Theoretical Investigation Karmakar S, Maity D, Mardanya S, Baitalik S
9411 - 9418	X-ray Spectroscopic Study of Solvent Effects on the Ferrous and Ferric Hexacyanide Anions Penfold TJ, Reinhard M, Rittmann-Frank MH, Tavernelli I, Rothlisberger U, Milne CJ, Glatzel P, Chergui M
9419 - 9428	Synthesis, Microwave Spectrum, Quantum Chemical Calculations, and Conformational Composition of a Novel Primary Phosphine, Cyclopropylethynylphosphine, (C3H5C equivalent to CPH2) Mollendal H, Samdal S, Gauss J, Guillemin JC
9429 - 9437	Quantum Chemical Investigations on the Nonradiative Deactivation Pathways of Cytosine Derivatives Nakayama A, Yamazaki S, Taketsugu T
9438 - 9444	Tunneling Dynamics of the NH3 ((A)over-tilde) State Observed by Time-Resolved Photoelectron and H Atom Kinetic Energy Spectroscopies Yu H, Evans NL, Chatterley AS, Roberts GM, Stayros VG, Ullrich S
9445 - 9450	Room Temperature Hole-Burning of X-ray Induced Sm2+ in Nanocrystalline Ba0.5Sr0.5FCI0.5Br0.5:Sm3+ Prepared by Mechanochemistry Wang XL, Riesen H, Stevens-Kalceff MA, Rajan RP
9451 - 9459	Role of Bad Dihedral Angles: Methylfluorenes Act as Energy Barriers for Excitons and Polarons of Oligofluorenes Mani T, Miller JR
9460 - 9470	Kinetic and Dynamic Investigations of OH Reaction with Styrene Cho J, Roueintan M, Li ZJ
9471 - 9481	Reactive and Nonreactive Ozone Uptake during Aging of Oleic Acid Particles Mendez M, Visez N, Gosselin S, Crenn V, Riffault V, Petitprez D
9482 - 9490	Experimental Study of the Reactions of Limonene with OH and OD Radicals: Kinetics and Products Braure T, Bedjanian Y, Romanias MN, Morin J, Riffault V, Tomas A, Coddeville P
9491 - 9499	Negative Muon Chemistry: The Quantum Muon Effect and the Finite Nuclear Mass Effect Posada E, Moncada F, Reyes A
9500 - 9511	Properties of Complexes Formed by Na+, Mg2+, and Fe2+ Binding with Benzene Molecules Kolakkandy S, Pratihar S, Aquino AJA, Wang H, Hase WL
9512 - 9520	Reactivity of CHI3 with OH Radicals: X-Abstraction Reaction Pathways (X = H, I), Atmospheric Chemistry, and Nuclear Safety Sudolska M, Louis F, Cernusak I
9521 - 9528	Substituted Corannulenes and Sumanenes as Fullerene Receptors. A Dispersion-Corrected Density Functional Theory Study Josa D, Rodriguez-Otero J, Cabaleiro-Lago EM, Santos LA, Ramalho TC
9529 - 9539	Anionic Halide center dot center dot center dot Alcohol Clusters in the Solid State Gushehin PV, Kuznetsov ML, Haukka M, Kukushkin VY
9540 - 9551	Conformational, Spectroscopic, and Molecular Dynamics DFT Study of Precursors for New Potential Antibacterial Fluoroquinolone Drugs Dorotikova S, Plevova K, Bucinsky L, Malcek M, Herich P, Kuckova L, Bobenicova M, Soralova S, Kozisek J, Fronc M, Milata V, Dvoranova D
9552 - 9560	Traditional and Ion-Pair Halogen-Bonded Complexes Between Chlorine and Bromine Derivatives and a Nitrogen-Heterocyclic Carbene Donoso-Tauda O, Jaque P, Elguero J, Alkorta I
9561 - 9567	Accuracy of Dispersion Interactions in Semiempirical and Molecular Mechanics Models: The Benzene Dimer Case Strutynski K, Gomes JANF, Melle-Franco M
9568 - 9574	Temperature-Induced Reversible First-Order Single Crystal to Single Crystal Phase Transition in Boc-gamma(4)(R)Val-Val-OH: Interplay of Enthalpy and Entropy Pal R, Reddy MBM, Dinesh B, Balaram P, Row TNG
9575 - 9587	Effect of Ionic Charge on the CH center dot center dot center dot pi Hydrogen Bond Nepal B, Scheiner S
9588 - 9595	Spin-Rotation and NMR Shielding Constants in XF Molecules (X = B, Al, Ga, In, and Tl) Jaszunski M, Demissie TB, Ruud K
9596 - 9606	Simple but Useful Scheme toward Understanding of Intramolecular Magnetic Interactions: Benzene-Bridged Oxoverdazyl Diradicals Ko KC, Park YG, Cho D, Lee JY
9607 - 9614	AuToGraFS: Automatic Topological Generator for Framework Structures Addicoat MA, Coupry DE, Heine T