화학공학소재연구정보센터

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