Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.115, No.35 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (39 articles)

9775 - 9781	Vibrational Energy Relaxation in Liquid HCl and DCl via the Linearized Semiclassical Method: Electrostriction versus Quantum Delocalization Vazquez FX, Talapatra S, Geva E
9782 - 9789	Role of Upper Triplet States on the Photophysics of Nitrated Polyaromatic Compounds: S-1 Lifetimes of Singly Nitrated Pyrenes Plaza-Medina EF, Rodriguez-Cordoba W, Peon J
9790 - 9800	Thermodynamic States of Nanoclusters at Low Pressure and Low Temperature: The Case of 13 H-2 Soullard J, Santamaria R, Boyer D
9801 - 9809	Solvent-Induced Shift of the Lowest Singlet pi -> pi* Charge-Transfer Excited State of p-Nitroaniline in Water: An Application of the TDDFT/EFP1 Method Sok S, Willow SY, Zahariev F, Gordon MS
9810 - 9819	Syntheses, Electrochemistry, and Photodynamics of Ferrocene-Azadipyrromethane Donor-Acceptor Dyads and Triads Amin AN, El-Khouly ME, Subbaiyan NK, Zandler ME, Supur M, Fukuzumi S, D'Souza F
9820 - 9827	Pulsed Jet Discharge Matrix Isolation and Computational Study of Bromine Atom Complexes: Br center dot center dot center dot BrXCH2 (X = H, Cl, Br) George L, Kalume A, Esselman B, McMahon RJ, Reid SA
9828 - 9836	NMR Study of Conformational Exchange and Double-Well Proton Potential in Intramolecular Hydrogen Bonds in Monoanions of Succinic Acid and Derivatives Guo J, Tolstoy PM, Koeppe B, Denisov GS, Limbach HH
9837 - 9844	Tridentate Ionic Hydrogen-Bonding Interactions of the 5-Fluorocytosine Cationic Dimer and Other 5-Fluorocytosine Analogues Characterized by IRMPD Spectroscopy and Electronic Structure Calculations Martens SM, Marta RA, Martens JK, McMahon TB
9845 - 9853	Hydrogen Bonding Effects on the Wavenumbers and Absorption Intensities of the OH Fundamental and the First, Second, and Third Overtones of Phenol and 2,6-Dihalogenated Phenols Studied by Visible/Near-Infrared/Infrared Spectroscopy Gonjo T, Futami Y, Morisawa Y, Wojcik MJ, Ozaki Y
9854 - 9860	Infrared Absorption Spectra of the CO2/H2O Complex in a Cryogenic Nitrogen Matrix-Detection of a New Bending Frequency Zhang X, Sander SP
9861 - 9875	Intrinsic Reaction Parameters for Electron Transfer from Aromatic Radical Anions to Vicinal Dibromoalkanes in Alkane Solutions Ivanishko IS, Beregovaya IV, Hartmann S, Kohler W, Borovkov VI
9876 - 9885	Permanganate Oxidation of alpha-Amino Acids: Kinetic Correlations for the Nonautocatalytic and Autocatalytic Reaction Pathways Perez-Benito JF
9886 - 9900	Quantitative Infrared Intensity Studies of Vapor-Phase Glyoxal, Methylglyoxal, and 2,3-Butanedione (Diacetyl) with Vibrational Assignments Profeta LTM, Sams RL, Johnson TJ, Williams SD
9901 - 9910	Identity of a Purple Dye Formed by Peroxidic Oxidation of rho-Aminophenol at Low pH Lerner L
9911 - 9918	Hydrogen-Atom Tunneling in Isomerization Around the C-O Bond of 2-Chloro-6-Fluorophenol in Low-Temperature Argon Matrixes Nanbu S, Sekine M, Nakata M
9919 - 9928	Theory of Solid-State Photo-CIDNP in the Earth's Magnetic Field Jeschke G, Anger BC, Bode BE, Matysik J
9929 - 9940	New Photophysical Insights in Noncovalent Interaction between Fulleropyrrolidine and a Series of Zincphthalocyanines Ray A, Santhosh K, Bhattacharya S
9941 - 9946	Water Behavior in Mesoporous Materials As Studied by NMR Relaxometry Steiner E, Bouguet-Bonnet S, Blin JL, Canet D
9947 - 9953	Formation and Characterization of Two Interconvertible Side-On and End-On Bonded Beryllium Ozonide Complexes Zhou ZJ, Li YZ, Zhuang J, Wang GJ, Chen MH, Zhao YY, Zheng XM, Zhou MF
9954 - 9968	Cation Ordering in Natural and Synthetic (Cu1-xZnx)(2)CO3(OH)(2) and (Cu1-xZnx)(5)(CO3)(2)(OH)(6) Klokishner S, Behrens M, Reu O, Tzolova-Muller G, Girgsdies F, Trunschke A, Schlogl R
9969 - 9976	Doping of Calcium in C-60 Fullerene for Enhancing CO2 Capture and N2O Transformation: A Theoretical Study Gao B, Zhao JX, Cai QH, Wang XG, Wang XZ
9977 - 9986	Kinetics and Mechanism of OH Oxidation of Small Organic Dicarboxylic Acids in Ice: Comparison to Behavior in Aqueous Solution Gao SS, Abbatt JPD
9987 - 9992	Ferromagnetism Induced by Intrinsic Defects and Boron Substitution in Single-Wall SiC Nanotubes Zhang YJ, Qin HW, Cao ES, Gao F, Liu H, Hu JF
9993 - 9999	Enhanced Stability by Three-Dimensional Aromaticity of Endohedrally Doped Clusters X10M0/- with X = Ge, Sn, Pb and M = Cu, Ag, Au Tai TB, Nguyen MT
10000 - 10008	Gas Phase Structures, Energetics, and Potential Energy Surfaces of Disilacyclohexanes Arnason I, Gudnason PI, Bjornsson R, Oberhammer H
10009 - 10017	Coupled Electron and Proton Transfer Processes in 4-Dimethylamino-2-hydroxy-benzaldehyde Zgierski MZ, Fujiwara T, Lim EC
10018 - 10026	Importance of the Intermolecular Pauli Repulsion in Embedding Calculations for Molecular Properties: The Case of Excitation Energies for a Chromophore in Hydrogen-Bonded Environments Fradelos G, Wesolowski TA
10027 - 10034	Probing Highly Efficient Photoisomerization of a Bridged Azobenzene by a Combination of CASPT2//CASSCF Calculation with Semiclassical Dynamics Simulation Liu LH, Yuan SA, Fang WH, Zhang Y
10035 - 10044	Integrated NMR and Computational Study of Push-Pull NLO Probes: Interplay of Solvent and Structural Effects Marini A, Macchi S, Jurinovich S, Catalano D, Mennucci B
10045 - 10051	Basis Set Dependence of Coupled Cluster Optical Rotation Computations Mach TJ, Crawford TD
10052 - 10058	Investigation of the Low-Frequency Vibrations of Crystalline Tartaric Acid Using Terahertz Spectroscopy and Solid-State Density Functional Theory Witko EM, Korter TM
10059 - 10068	Conformations of Trimethyl Phosphite: A Matrix Isolation Infrared and ab Initio Study Ramanathan N, Sundararajan K, Kar BP, Viswanathan KS
10069 - 10077	The Nature of the Interaction of Organoselenium Molecules with Diiodine Madzhidov TI, Chmutova GA, Pendas AM
10078 - 10086	Intramolecular Hydrogen Bonds: the QTAIM and ELF Characteristics Fuster F, Grabowski SJ
10087 - 10096	Solid-State Thermochromism and Phase Transitions of Charge Transfer 1,3-Diamino-4,6-dinitrobenzene Dyes Lee JH, Naumov P, Chung IH, Lee SC
10097 - 10105	Ab Initio Study of Structure and Interconversion of Native Cellulose Phases Bucko T, Tunega D, Angyan JG, Hafner J
10106 - 10112	A Density Functional Theory Study of the Nef-Isocyanide Reaction: Mechanism, Influence of Parameters and Scope Cheron N, El Kaim L, Grimaud L, Fleurat-Lessard P
10113 - 10121	Energy and Lifetime of Temporary Anion States of Uracil by Stabilization Method Cheng HY, Chen CW
10122 - 10127	Alkyl Group Effect on the Conformational Isomerism of trans-2-Bromoalkoxycyclohexanes Analyzed by NMR Spectroscopy and Theoretical Calculations Silla JM, Cormanich RA, Duarte CJ, Freitas MP, Ramalho TC, Barbosa TM, Santos FP, Tormena CF, Rittner R