Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.119, No.12 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (40 articles)

2735 - 2746	Matrix-Isolation Studies of Noncovalent Interactions: More Sophisticated Approaches Khriachtchev L
2747 - 2759	Ab Initio Molecular Dynamics of High-Temperature Unimolecular Dissociation of Gas-Phase RDX and Its Dissociation Products Schweigert IV
2760 - 2769	Nitric Oxide Reduction to Ammonia by TiO2 Electrons in Colloid Solution via Consecutive One-Electron Transfer Steps Goldstein S, Behar D, Rajh T, Rabani J
2770 - 2779	Diffusion-Facilitated Direct Determination of Intrinsic Parameters for Rapid Photoinduced Bimolecular Electron-Transfer Reactions in Nonpolar Solvents Scully AD, Ohtaka H, Takezaki M, Tominaga T
2780 - 2792	Reductions of Oxygen, Carbon Dioxide, and Acetonitrile by the Magnesium(II)/Magnesium(I) Couple in Aqueous Media: Theoretical Insights from a Nano-Sized Water Droplet Lam TW, Zhang H, Siu CK
2793 - 2801	Formation of Furan along with HO2 during the OH-Initiated Oxidation of 2,5-DHF and 2,3-DHF: An Experimental and Computational Study Alwe HD, Sharma A, Walavalkar MP, Dhanya S, Naik PD
2802 - 2812	Ozonolysis Reactions of Monoterpenes: A Variational Transition State Investigation. Oliveira RCD, Bauerfeldt GF
2813 - 2818	Ultrafast Structural Pathway of Charge Transfer in N,N,N',N'-Tetramethylethylenediamine Cheng XX, Zhang Y, Gao Y, Jonsson H, Weber PM
2819 - 2828	Theoretical Investigation on Excited-State Cyclization Reactions of Platinum-Sensitized Dithienylethene Complexes Li L, Bai FQ, Zhang HX
2829 - 2833	X-ray Accelerated Photo-Oxidation of As(III) in Solution Canche-Tello J, Vargas MC, Hernandez-Cobos J, Ortega-Blake I, Leclercq A, Solari PL, Lezama-Pacheco J, Den Auwer C, de Leon JM
2834 - 2844	Infrared Matrix Isolation Study of the Thermal and Photochemical Reactions of Ozone with Trimethylgallium Sriyarathne HDM, Gudmundsdottir AD, Ault BS
2845 - 2856	Photoelectron Spectroscopy and ab initio Calculations of Li(H2O)(n)(-) and Cs(H2O)(n)(-) (n=1-6) Clusters Zeng Z, Liu CW, Hou GL, Feng G, Xu HG, Gao YQ, Zheng WJ
2857 - 2862	Lanthanum-Mediated C-H Bond Activation of Propyne and Identification of La(C3H2) Isomers Hewage D, Roudjane M, Silva WR, Kumari S, Yang DS
2863 - 2877	Vibronic Spectroscopy of a Nitrile/Isonitrile Isoelectronic Pair: para-Diisocyanobenzene and para-Isocyanobenzonitrile Mehta-Hurt DN, Korn JA, Gutberlet AK, Zwier TS
2878 - 2884	The Molecular Structure of Aqueous Hg(II)-EDTA As Determined by X-ray Absorption Spectroscopy Thomas SA, Gaillard JF
2885 - 2894	Hydration Structure and Mobility of the Water Contained in Poly(ethylene terephthalate) Iwamoto R, Kusanagi H
2895 - 2901	Dissociating H-2(+)(Sigma(+)(g')JM=00) Ion as an Exploding Quantum Bubble Perez-Torres JF
2902 - 2907	Density Functional Theory Based Analysis of Photoinduced Electron Transfer in a Triazacryptand Based K+ Sensor Briggs EA, Besley NA
2908 - 2918	Origin of the Metastable Stability in Flavylium Multistate Systems Petrov V, Slavcheva S, Stanimirov S, Pina F
2919 - 2925	Chemistry in Laser-Induced Plasmas: Formation of M-C C-Cl (M = Ag or Cu) and their Characterization by Rotational Spectroscopy Zaleski DP, Tew DP, Walker NR, Legon AC
2926 - 2939	Prediction of the pK(a)'s of Aqueous Metal Ion+2 Complexes Jackson VE, Felmy AR, Dixon DA
2940 - 2964	Ab Initio Water Pair Potential with Flexible Monomers Jankowski P, Murdachaew G, Bukowski R, Akin-Ojo O, Leforestier C, Szalewicz K
2965 - 2981	Initial Mechanisms for the Decomposition of Electronically Excited Energetic Salts: TKX-50 and MAD-X1 Yuan B, Yu ZJ, Bernstein ER
2982 - 2988	Laser-Driven Isomerization of HCN -> HNC: The Importance of Rotational Excitation Sun ZP, Zheng YJ
2989 - 2997	Theoretical Investigations on Rh(III)-Catalyzed Cross-Dehydrogenative Aryl-Aryl Coupling via C-H Bond Activation Zhao D, Li XX, Han KL, Li XW, Wang Y
2998 - 3007	The Thermochemistry of Cubane 50 Years after Its Synthesis: A High-Level Theoretical Study of Cubane and Its Derivatives Agapito F, Santos RC, dos Santos RMB, Simoes JAM
3008 - 3022	Intramolecular Vibrations in Low-Frequency Normal Modes of Amino Acids: L-Alanine in the Neat Solid State Zhang F, Wang HW, Tominaga K, Hayashi M
3023 - 3034	Evaluation of the OPLS-AA Force Field for the Study of Structural and Energetic Aspects of Molecular Organic Crystals Bernardes CES, Joseph A
3035 - 3047	Properties of Ammonium Ion-Water Clusters: Analyses of Structure Evolution, Noncovalent Interactions, and Temperature and Humidity Effects Pei ST, Jiang S, Liu YR, Huang T, Xu KM, Wen H, Zhu YP, Huang W
3048 - 3055	Geometry Dependence of Electronic and Energetic Properties of One-Dimensional Peanut-Shaped Fullerene Polymers Noda Y, Ono S, Ohno K
3056 - 3063	Hydrogen Trapping Ability of the Pyridine-Lithium(+) (1:1) Complex Chattaraj S, Srinivasu K, Mondal S, Ghosh SK
3064 - 3074	In Quest of a Superhalogen Supported Covalent Bond Involving a Noble Gas Atom Chakraborty D, Chattaraj PK
3075 - 3088	The Nature and Role of the Gold-Krypton Interactions in Small Neutral Gold Clusters Mancera LA, Benoit DM
3089 - 3097	Origin of Kinetic Instability of Fullerenes That Violate the Isolated Pentagon Rule Aihara J
3098 - 3106	Role of Encapsulated Metal Cation in the Reactivity and Regioselectivity of the C-60 Diels-Alder Reaction Cui CX, Liu YJ
3107 - 3111	Quantifying Reactivity for Electrophilic Aromatic Substitution Reactions with Hirshfeld Charge Liu SB
3112 - 3124	Direct and Indirect Effects of Dispersion Interactions on the Electric Properties of Weakly Bound Complexes Medved M, Budzak S, Laurent AD, Jacquemin D
3125 - 3133	P center dot center dot center dot N Pnicogen Bonds in Cationic Complexes of F4P+ and F3HP+ with Nitrogen Bases Del Bene JE, Alkorta I, Elguero J
3134 - 3140	Double-Inversion Mechanisms of the X- + CH3Y [X,Y = F, Cl, Br, I] S(N)2 Reactions Szabo I, Czako G
3141 - 3146	Proximity Effect: Insight into the Fundamental Forces Governing Chemical Reactivity of Aromatic Systems Vidhani DV, Krafft ME