Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.116, No.26 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (33 articles)

6955 - 6966	Decomposition Reaction Rate of BCl3-C3H6(propene)-H-2 in the Gas Phase Xiao J, Su KH, Liu Y, Ren HJ, Zeng QF, Cheng LF, Zhang LT
6967 - 6982	Separability of Tight and Roaming Pathways to Molecular Decomposition Harding LB, Klippenstein SJ, Jasper AW
6983 - 6995	Radical Quantum Yields from Formaldehyde Photolysis in the 30 400-32 890 cm(-1) (304-329 nm) Spectral Region: Detection of Radical Photoproducts Using Pulsed Laser Photolysis-Pulsed Laser Induced Fluorescence Ernest CT, Bauer D, Hynes AJ
6996 - 7003	Infrared-Optical Double Resonance Spectroscopic Investigation of Trifluoromethylphenols and Their Water Complexes Dey A, Patwari GN
7004 - 7015	Theoretical and Experimental Study of Valence Photoelectron Spectrum of D,L-Alanine Amino Acid Farrokhpour H, Fathi F, De Brito AN
7016 - 7022	Resonantly Enhanced Multiphoton Ionization and Zero Kinetic Energy Photoelectron Spectroscopy of Chrysene: A Comparison with Tetracene Zhang J, Harthcock C, Kong W
7023 - 7032	Coherent Fifth-Order Visible-Infrared Spectroscopies: Ultrafast Nonequilibrium Vibrational Dynamics in Solution Lynch MS, Slenkamp KM, Cheng M, Khalil M
7033 - 7038	Temperature Effect on the Two-Photon Absorption Spectrum of All-trans-beta-carotene Vivas MG, Mendonca CR
7039 - 7049	Modulating Nitric Oxide Release by S-Nitrosothiol Photocleavage: Mechanism and Substituent Effects Marazzi M, Lopez-Delgado A, Fernandez-Gonzalez MA, Castano O, Frutos LM, Temprado M
7050 - 7056	Burial Effects of Organic Coatings on the Heterogeneous Reactivity of Particle-Borne Benzo[a]pyrene (BaP) toward Ozone Zhou S, Lee AKY, McWhinney RD, Abbatt JPD
7057 - 7064	Molecular Dynamics Simulations of Ice Nucleation by Electric Fields Yan JY, Patey GN
7065 - 7073	Vibrational Spectroscopy and Theory of the Protonated Benzene Dimer and Trimer Bandyopadhyay B, Cheng TC, Wheeler SE, Duncan MA
7074 - 7081	A Relation between Different Scales of Electrophilicity: Are the Scales Consistent Along a Chemical Reaction? Morell C, Herrera B, Gutierrez-Oliva S, Ceron ML, Grand A, Toro-Labbe A
7082 - 7088	Theoretical Elucidation on the Regio-, Diastereo-, and Enantio-Selectivities of Chiral Primary-Tertiary Diamine Catalyst for Asymmetric Direct Aldol Reactions of Aliphatic Ketones Sun XT, Zhu RX, Gao J, Zhang DJ, Feng DC
7089 - 7097	New Reaction Model for O-O Bond Formation and O-2 Evolution Catalyzed by Dinuclear Manganese Complex Hatakeyama M, Nakata H, Wakabayashi M, Yokojima S, Nakamura S
7098 - 7106	Unraveling the Reactions that Unravel Cellulose Mayes HB, Broadbelt LJ
7107 - 7122	Study of the Fundamental Units of Novel Semiconductor Materials: Structures, Energetics, and Thermodynamics of the Ge-Sn and Si-Ge-Sn Molecular Systems Ciccioli A, Gigli G
7123 - 7127	Exploring the Ring-Opening Pathways in the Reaction of Morpholinyl Radicals with Oxygen Molecule Dholabhai PP, Yu HG
7128 - 7138	Predicting Autoxidation Stability of Ether- and Amide-Based Electrolyte Solvents for Li-Air Batteries Bryantsev VS, Faglioni F
7139 - 7146	Unusual Electron Charge Density in Carboxylic Acid. O-17 Quadrupole Coupling in cis-Cyclobutane-1,2-dicarboxylic Acid Seliger J, Zagar V
7147 - 7153	Hard and Soft Acids and Bases: Structure and Process Reed JL
7154 - 7160	Coupled Cluster and Density Functional Theory Calculations of Atomic Hydrogen Chemisorption on Pyrene and Coronene as Model Systems for Graphene Hydrogenation Wang Y, Qian HJ, Morokuma K, Irle S
7161 - 7168	TD-CI Simulation of the Strong-Field Ionization of Polyenes Sonk JA, Schlegel HB
7169 - 7176	Theoretical Investigation of the He4Br2 Conformers Valdes A, Prosmiti R, Villarreal P, Delgado-Barrio G
7177 - 7188	Extensive Computational Study on Coordination of Transition Metal Cations and Water Molecules to Glutamic Acid Meng LB, Hu AD, Pang R, Lin ZJ
7189 - 7195	Fluxionality in the Chemical Reactions of Transition Metal Oxide Clusters: The Role of Metal, Spin State, and the Reactant Molecule Ramabhadran RO, Becher EL, Chowdhury A, Raghavachari K
7196 - 7209	Group Additivity Values for Estimating the Enthalpy of Formation of Organic Compounds: An Update and Reappraisal. 2. C, H, N, O, S, and Halogens Holmes JL, Aubry C
7210 - 7218	Theoretical and Experimental Studies of the Spin Trapping of Inorganic Radicals by 5,5-Dimethyl-1-pyrroline N-Oxide (DMPO). 3. Sulfur Dioxide, Sulfite, and Sulfate Radical Anions Zamora PL, Villamena FA
7219 - 7227	Off-Planar Geometry and Structural Instability of EDO-TTF Explained by Using the Extended Debye Polarizability Model for Bond Angles Linker GJ, van Duijnen PT, van Loosdrecht PHM, Broer R
7228 - 7237	Analysis of the Activation and Heterolytic Dissociation of H-2 by Frustrated Lewis Pairs: NH3/BX3 (X = H, F, and Cl) Camaioni DM, Ginovska-Pangovska B, Schenter GK, Kathmann SM, Autrey T
7238 - 7244	Spin-Coupled Theory for'N Electrons in M Orbitals' Active Spaces Karadakov PB, Cooper DL, Duke BJ, Li JB
7245 - 7252	Inter- and Intramolecular Mechanisms for Chlorine Rearrangements in Trimethyl-Substituted N-Chlorohydantoins McCann BW, Song H, Kocer HB, Cerkez I, Acevedo O, Worley SD
7253 - 7260	Theory of Nonrigid Rotational Motion Applied to NMR Relaxation in RNA (vol 115, pg 12055, 2011) Emani PS, Olsen GL, Varani G, Drobny GP