Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.113, No.40 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (35 articles)

10589 - 10592	Triplet-State Acid-Base Reactions of 1-Methyl-7-oxyquinolinium in Water Park SY, Kwon OH, Lee YS, Jang DJ
10593 - 10602	Interpreting the Physical Background of Empirical Solvent Polarity via Photodetachment Spectroscopy of Microsolvated Aromatic Ketyl Anions Maeyama T, Yoshida K, Yagi I, Fujii A, Mikami N
10603 - 10609	Synergy Effects of Electric and Magnetic Fields on Locally Excited-State Fluorescence of Photoinduced Electron Transfer Systems in a Polymer Film Awasthi K, Iimori T, Ohta N
10610 - 10618	Molecular Rotational Excitation by Strong Femtosecond Laser Pulses Wu CY, Zeng GP, Jiang HY, Gao YN, Xu N, Gong QH
10619 - 10640	Carbon Cluster Formation during Thermal Decomposition of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine and 1,3,5-Triamino-2,4,6-trinitrobenzene High Explosives from ReaxFF Reactive Molecular Dynamics Simulations Zhang LZ, Zybin SV, van Duin ACT, Dasgupta S, Goddard WA, Kober EM
10641 - 10647	Correlation between the Atomic Alignment and the Alignment of XeX* (B, C) Rotation in the Reactions of Oriented Xe (P-3(2), M-J=2) + Halogen (X)-Containing Molecules Ohoyama H, Yasuda K, Kasai T
10648 - 10651	State-to-State Quantum Reactive Scattering Calculations and Rate Constant for Nitrogen Atoms in Collision with NO Radicals at Low Temperatures Jorfi A, Honvault P
10652 - 10666	Density Functional Study of the High-Temperature Oxidation of o-, m-and p-Xylyl Radicals Murakami Y, Oguchi T, Hashimoto K, Nosaka Y
10667 - 10677	An ab Initio/Rice-Ramsperger-Kassel-Marcus Study of the Reactions of Propenols with OH. Mechanism and Kinetics of H Abstraction Channels Zhou CW, Mebel AM, Li XY
10678 - 10686	Solvent Dependence of n-pi* Absorption in Acetone Renge I
10687 - 10692	Matrix-Isolation and Ab Initio Study of the HKrCl center dot center dot center dot HCl Complex Corani A, Domanskaya A, Khriachtchev L, Rasanen M, Lignell A
10693 - 10703	Experimental and Theoretical Study of Excited-State Structure and Relaxation Processes of Betaine-30 and of Pyridinium Model Compounds Kharlanov V, Rettig W
10704 - 10709	Primary Kinetic Isotope Effects on Hydride Transfer from Heterocyclic Compounds to NAD(+) Analogues Kil HJ, Lee ISH
10710 - 10716	Heat of Formation of the Allyl Ion by TPEPICO Spectroscopy Shuman NS, Stevens WR, Lower K, Baer T
10717 - 10725	Determination of Molecular Structure of Bisphenylene Homologues of BINOL-Based Phosphoramidites by Chiroptical Methods Julinek O, Setnicka V, Miklasova N, Putala M, Ruud K, Urbanova M
10726 - 10733	Photoemission and Photoabsorption Spectroscopy of Glycyl-Glycine in the Gas Phase Feyer V, Plekan O, Richter R, Coreno M, Prince KC, Carravetta V
10734 - 10744	Computational Study of Cesium Cation Interactions with Neutral and Anionic Compounds Related to Soil Organic Matter Burk P, Tammiku-Taul J, Tamp S, Sikk L, Sillar K, Mayeux C, Gal JF, Maria PC
10745 - 10752	Reaction Rate Coefficients of OH Radicals and Cl Atoms with Ethyl Propanoate, n-Propyl Propanoate, Methyl 2-Methylpropanoate, and Ethyl n-Butanoate Cometto PM, Daele V, Idir M, Lane SI, Mellouki A
10753 - 10758	Influence of Fluorine Atoms and Aromatic Rings on the Acidity of Ethanol Ramirez RE, Garcia-Martinez C, Mendez F
10759 - 10766	Dirichlet Boundary Conditions and Effect of Confinement on Chemical Reactivity Sarkar U, Giri S, Chattaraj PK
10767 - 10771	Structure of the Photochemical Reaction Path Populated via Promotion of CF2I2 into Its First Excited State El-Khoury PZ, Tarnovsky AN, Schapiro I, Ryazantsev MN, Olivucci M
10772 - 10778	Experimental and Theoretical Study of the Structures and Enthalpies of Formation of the Synthetic Reagents 1,3-Thiazolidine-2-thione and 1,3-Oxazolidine-2-thione Roux MV, Temprado M, Jimenez P, Foces-Foces C, Notario R, Parameswar AR, Demchenko AV, Chickos JS, Deakyne CA, Ludden AK, Liebman JF
10779 - 10786	Collision-Energy-Resolved Penning Ionization Electron Spectroscopy of Glycine with He(2(3)S) Metastable Atoms: Conformational Isomers in Collisional Ionization Yamakita Y, Ohno K
10787 - 10794	Computational Study of the Self-Initiation Mechanism in Thermal Polymerization of Methyl Acrylate Srinivasan S, Lee MW, Grady MC, Soroush M, Rappe AM
10795 - 10802	Classical Collision Spectrum of O+CO Braunstein M, Duff JW
10803 - 10810	Theoretical Assessment of Norfloxacin Redox and Photochemistry Musa KAK, Eriksson LA
10811 - 10817	Effects of Core Distances, Solvent, Ligand, and Level of Theory on the TDDFT Optical Absorption Spectrum of the Thiolate-Protected Au-25 Nanoparticle Aikens CM
10818 - 10825	Ab Initio and DFT Study of the Conformational Energy Hypersurface of Cyclic Gly-Gly-Gly Tosso RD, Zamora MA, Suvire FD, Enriz RD
10826 - 10832	Photophysical Properties of an Alkyne-Bridged Bis(zinc porphyrin)-Perylene Bis(dicarboximide) Derivative Odom SA, Kelley RF, Ohira S, Ensley TR, Huang C, Padilha LA, Webster S, Coropceanu V, Barlow S, Hagan DJ, Van Stryland EW, Bredas JL, Anderson HL, Wasielewski MR, Marder SR
10833 - 10838	Theoretical Study of Isomerization Mechanisms in Fluorinated Fullerene Derivatives Avdoshenko SM, Ioffe IN, Sidorov LN
10839 - 10844	Structure, Stability, and Thermochemistry of the Fullerene Derivatives C64X6 (X = H, F, Cl) Xu L, Shao XG, Cai W
10845 - 10851	Mutual Influence of Cyclopentadienyl and Carbonyl Ligands in Cymantrene: QTAIM Study Borissova AO, Antipin MY, Lyssenko KA
10852 - 10857	pi-Delocalization in Oligoalkynes Induced by Push-Pull Substituents and 1,3-Conjugation: A Combined C-13 NMR and Computational Study Kleinpeter E, Koch A
10858 - 10865	Quantum Mechanical and NMR Studies of Ring Puckering and cis/trans-Rotameric Interconversion in Prolines and Hydroxyprolines Aliev AE, Bhandal S, Courtier-Murias D
10866 - 10866	MCD of Non-Aromatic Cyclic pi-Electron Systems. 3. The Perimeter Model for Low-Symmetry "Unaromatic" and "Ambiaromatic" Molecules Derived from 4N-Electron [n]Annulenes (vol 104A, pg 7762, 2000) Fleischhauer J, Howeler U, Michl J