Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.112, No.51 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (62 articles)

13263 - 13266	Solute-Solvent Interactions Determine the Effect of External Electric Field on the Intensity of Molecular Absorption Spectra Prezhdo OV, Boszczyk W, Zubkova VV, Prezhdo VV
13267 - 13270	Photodissociation Dynamics of Formaldehyde Initiated at the T-1/S-0 Minimum Energy Crossing Configurations Shepler BC, Epifanovsky E, Zhang P, Bowman JM, Krylov AI, Morokuma K
13271 - 13274	Observation of H-2 Aggregation onto a Doubly Charged Anion in a Temperature-Controlled Ion Trap Wang XB, Xing XP, Wang LS
13275 - 13281	310 nm Irradiation of Atmospherically Relevant Concentrated Aqueous Nitrate Solutions: Nitrite Production and Quantum Yields Roca M, Zahardis J, Bone J, El-Maazawi M, Grassian VH
13282 - 13286	EDOT-Type Materials: Planar but Not Rigid Milian Medina B, Wasserberg D, Meskers SCJ, Mena-Osteritz E, Bauerle P, Gierschner J
13287 - 13301	Slow Electron Velocity-Map Imaging of Negative Ions: Applications to Spectroscopy and Dynamics Neumark DM
13302 - 13307	An Examination of the Expectation Value Profiles for Average Stretch and Momentum in O-H and O-D Bonds of the HOD Molecule To Determine Their Role in Selective Photodissociation Sarma M, Adhikari S, Mishra MK
13308 - 13315	Excited State Characteristics of 6-Azauracil in Acetonitrile: Drastically Different Relaxation Mechanism from Uracil Kolayashi T, Harada Y, Suzuki T, Ichimura T
13316 - 13325	AlnBi Clusters: Transitions Between Aromatic and Jellium Stability Jones CE, Clayborne PA, Reveles JU, Melko JJ, Gupta U, Khanna SN, Castleman AW
13326 - 13334	Why Does trans-Azobenzene Have a Smaller Isomerization Yield for pi pi* Excitation Than for n pi* Excitation? Yuan SA, Dou YS, Wu WF, Hu Y, Zhao JS
13335 - 13342	Application of the Moving Boundary Truncation Method to Reactive Scattering: H + H-2, O + H-2, O + HD Pettey LR, Wyatt RE
13343 - 13351	Reversible Exciplex Formation Followed Charge Separation Petrova MV, Burshtein AI
13352 - 13363	Charge Separation in the Aerodynamic Breakup of Micrometer-Sized Water Droplets Zilch LW, Maze JT, Smith JW, Ewing GE, Jarrold MF
13364 - 13371	Accelerated and Efficient Photochemistry from Higher Excited Electronic States in Fulgide Molecules Cordes T, Malkmus S, DiGirolamo JA, Lees WJ, Nenov A, de Vivie-Riedle R, Braun M, Zinth W
13372 - 13381	Absorption Spectrum of OH Radical in Water Chipman DM
13382 - 13392	Theoretical Investigation on the Stability of Ionic Formic Acid Clusters Baptista L, Andrade DPP, Rocha AB, Rocco MLM, Boechat-Roberty HM, da Silveira EF, da Silva EC, Arbilla G
13393 - 13401	Spectroscopic Identification of Higher-Order Rare Gas-Dihalogen Complexes with Different Geometries: He-2,He-3 center dot center dot center dot Br-2 and He-2,He-3 center dot center dot center dot ICl Boucher DS, Darr JP, Strasfeld DB, Loomis RA
13402 - 13412	Spectral Heterogeneity of PRODAN Fluorescence in Isotropic Solvents Revealed by Multivariate Photokinetic Analysis Rowe BA, Roach CA, Lin J, Asiago V, Dmitrenko O, Neal SL
13413 - 13418	1(1)B(u) (S-2) and 2(1)A(g) (S-1) Fluorescence and the 2(1)A(g) State of alpha,omega-Dithienylbutadiene and alpha,omega-Dithienylethylene Itoh T, Yamaji M
13419 - 13426	Spectroscopy, Metastability, and Single and Double Ionization of AlCl Brites V, Hammoutene D, Hochlaf M
13427 - 13431	Spectroscopic Evidence of Jet-Cooled o-Chloro-alpha-Methylbenzyl Radical in Corona Excitation Ahn HG, Lee GW, Lee SK
13432 - 13443	Determination of the Rate Constant for the NH2((XB1)-B-2) + NH2((XB1)-B-2) Reaction at Low Pressure and 293 K Bahng MK, Macdonald RG
13444 - 13451	Enol Formation and Ring-Opening in OH-Initiated Oxidation of Cycloalkenes Meloni G, Selby TM, Osborn DL, Taatjes CA
13452 - 13457	Stoichiometric Network Analysis and Associated Dimensionless Kinetic Equations. Application to a Model of the Bray-Liebhafsky Reaction Schmitz G, Kolar-Anic LZ, Anic SR, Cupic ZD
13458 - 13462	Coherent Anti-Stokes Raman Scattering Microscopy of Samples Probed with Gaussian Volumes Marrocco M
13463 - 13469	Vibrational Signature of the Conformers in Tyramine Studied by IR Dip and Dispersed Fluorescence Spectroscopies Makara K, Misawa K, Miyazaki M, Mitsuda H, Ishiuchi SI, Fujii M
13470 - 13480	Kinetic Modeling of Methyl Butanoate in Shock Tube Huynh LK, Lin KC, Violi A
13481 - 13486	Deuterium NMR Study of Molecular Dynamics and Phase Transition in Acetonitrile Crystal Suzuki Y, Sato M, Takanohashi K, Ida T, Mizuno M
13487 - 13494	Origin of the OH Vibrational Blue Shift in the LiOH Crystal Hermansson K, Gajewski G, Mitev PD
13495 - 13499	Reactions of Gold Atoms with Nitrous Oxide in Excess Argon: A Matrix Infrared Spectroscopic and Theoretical Study Jiang L, Kohyama M, Haruta M, Xu Q
13500 - 13506	Optical Emission Study of Radio-Frequency Excited Toluene Plasma Lee S, Ling SJ, Liang RJ
13507 - 13517	Alanine Polypeptide Structural Fingerprints at Room Temperature: What Can Be Gained from Non-Harmonic Car-Parrinello Molecular Dynamics Simulations Gaigeot MP
13518 - 13527	Vibrational Spectral Diffusion in Supercritical D2O from First Principles: An Interplay between the Dynamics of Hydrogen Bonds, Dangling OD Groups, and Inertial Rotation Mallik BS, Chandra A
13528 - 13534	Metal-Metal Bonding and Structures of Metal String Complexes Cr-3(dpa)(4)Cl-2, Cr-3(dpa)(4)(NCS)(2), and [Cr-3(dpa)(4)Cl-2](PF6) from IR, Raman, and Surface-Enhanced Raman Spectra Hsiao CJ, Lai SH, Chen IC, Wang WZ, Peng SM
13535 - 13541	The Kinetics of Tetramethylethene Ozonolysis: Decomposition of the Primary Ozonide and Subsequent Product Formation in the Condensed Phase Epstein SA, Donahue NM
13542 - 13548	Atmospheric Chemistry of 4:2 Fluorotelomer Iodide (n-C4F9CH2CH2I): Kinetics and Products of Photolysis and Reaction with OH Radicals and Cl Atoms Young CJ, Hurley MD, Wallington TJ, Mabury SA
13549 - 13555	Identification of Combustion Intermediates in Low-Pressure Premixed Pyridine/Oxygen/Argon Flames Tian ZY, Li YY, Zhang TC, Zhu AG, Qi F
13556 - 13565	Kinetics of the Gas-Phase Reactions of OH and NO3 Radicals and O-3 with 1,4-Thioxane and 1,4-Dithiane Aschmann SM, Long WD, Atkinson R
13566 - 13573	Bond Dissociation Enthalpies of Large Aromatic Carbon-Centered Radicals Hemelsoet K, Van Speybroeck V, Waroquier M
13574 - 13583	Effect of Chlorin Structure on Theoretical Electronic Absorption Spectra and on the Energy Released by Porphyrin-Based Photosensitizers Palma M, Cardenas-Jiron GI, Rodriguez MIM
13584 - 13592	Calculation of Magnetically Induced Currents in Hydrocarbon Nanorings Taubert S, Sundholm D, Juselius J, Klopper W, Fliegl H
13593 - 13599	Atoms-in-Molecules Dual Parameter Analysis of Weak to Strong Interactions: Behaviors of Electronic Energy Densities versus Laplacian of Electron Densities at Bond Critical Points Nakanishi W, Hayashi S, Narahara K
13600 - 13608	Complex Formation between Anisole and Boron Trifluoride: Structural and Binding Properties Lin T, Zhang WJ, Wang LC
13609 - 13621	Solvent Stokes' Shifts Revisited: Application and Comparison of Thompson - Schweizer - Chandler - Song - Marcus Theories with Ooshika -Bakshiev - Lippert Theories Kirk W
13622 - 13627	First-Principles Prediction of Rate Coefficients for Free-Radical Cyclization Reactions at Selenium Lobachevsky S, Schiesser CH, Lin CY, Coote ML
13628 - 13632	Proton Dynamics in Strong (Short) Intramolecular H-Bond. DFT Study of the KH Maleate Crystal Vener MV, Manaev AV, Tsirelson VG
13633 - 13640	DFT Study on the Selectivity of Complexation of Metal Cations with a Dioxadithia Crown Ether Ligand Korchowiec J, Korchowiec B, Priebe W, Rogalska E
13641 - 13649	Is the FeO2- Anion Bent or Linear? Li ZH, Gong Y, Fan KN, Zhou MF
13650 - 13654	Density Functional Theory Study of Magnetic Coupling in the Gd12O18 Cluster Ning LX, Zhang YF, Cui ZF, Trioni MI, Brivio GP
13655 - 13661	A Computational Study on the Mechanism of Intramolecular Oxo-Hydroxy Phototautomerism Driven by Repulsive pi sigma* State Chmura B, Rode MF, Sobolewski AL, Lapinski L, Nowak MJ
13662 - 13671	Electric Dipole (Hyper)polarizabilities of Selected X2Y2 and X3Y3 (X = Al, Ga, In and Y = P, As): III-V Semiconductor Clusters. An ab Initio Comparative Study Karamanis P, Pouchan C, Leszczynski J
13672 - 13678	Proton Effects on Diazafluorene Derivatives with Sulfur-Rich Substituents, a Structural, Spectroscopic and Theoretical Study Yu L, Zhu QY, Zhang Y, Lei ZX, Niu GY, Dai J
13679 - 13683	The Boron Buckyball and Its Precursors: An Electronic Structure Study Sadrzadeh A, Pupysheva OV, Singh AK, Yakobson BI
13684 - 13690	Energy Barriers in the Conversion of Bicyclobutane to gauche-1,3-Butadiene from the Anti-Hermitian Contracted Schrodinger Equation Mazziotti DA
13691 - 13698	New Insights into the Use of (TD-)DFT for Geometries and Electronic Structures of Constrained pi-Stacked Systems: [n.n]Paracyclophanes Kamya PRN, Muchall HM
13699 - 13705	Graphene Terahertz Generators for Molecular Circuits and Sensors Rangel NL, Seminario JA
13706 - 13711	Enhanced Enthalpies of Formation from Density Functional Theory through Molecular Reference States Brothers EN, Scuseria GE
13712 - 13716	Atomic Properties of Element 113 and Its Adsorption on Inert Surfaces from ab Initio Dirac-Coulomb Calculations Pershina V, Borschevsky A, Eliav E, Kaldor U
13717 - 13728	Nearsightedness of Electronic Matter As Seen by a Physicist and a Chemist Bader RFW
13729 - 13736	Ab Initio Anharmonic Force Field and Rotational Analyses of Infrared Bands of Perchloryl Fluoride Cane E, Fusina L, Lamarra M, Tarroni R, Burczyk K
13737 - 13744	Vibronic Effects in the 1(1)Bu(1(1)B(2)) Excited Singlet States of Oligothiophenes. Fluorescence Study of the 1(1)A(g)(1(1)A(1)) <-1(1)B(u)(1(1)B(2)) Transition in Terms of DFT, TDDFT, and CASSCF Methods Andrzejak M, Pawlikowski MT
13745 - 13745	A Combined High-Resolution X-ray Powder Diffraction, Computational, and XPS Study of the Local Structure of Extra-Framework Copper Ions in Over-Exchanged Cu-MCM22 Zeolite (vol 112A, pg 8403, 2008) Milanesio M, Croce G, Viterbo D, Pastore HO, Mascarenhas AJD, Munsignatti ECD, Meda L