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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_44/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_44/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	44
Rights Holder	American Chemical Society
is Is Part Of of	Assessing Alkyl-, Silyl-, and Halo-Substituent Effects on the Electron Affinities ofSilyl Radicals Chemical Kinetic Approach to the Mechanism of Coupled Transport of Cu(II) Ions through Bulk LiquidMembranes Structural and Vibrational Properties of Tetraoxaporphyrin Dication, the Oxygen Analogueof Porphyrin, and of Isoelectronic Diprotonated Porphyrin Crystallization Pathways of Sulfate−Nitrate−Ammonium Aerosol Particles Kinetics of ClONO2 Reactive Uptake on Ice Surfaces at Temperatures of the UpperTroposphere Effects of Substituents on the Stability of Phosphoranyl Radicals The Jahn−Teller Effect in CH3CN+ (X̃2E) and CD3CN+ (X̃2E) Studied by Zero KineticEnergy Photoelectron Spectroscopy Theoretical Analyses of the Effects on the Linear and Quadratic Nonlinear OpticalProperties of N-Arylation of Pyridinium Groups in Stilbazolium Dyes Anharmonic Vibrational Properties of Explosives from Temperature-Dependent Raman Selective Oxygenation of 4,4‘-Dimethylbiphenyl with Molecular Oxygen, Catalyzed by9-Phenyl-10-methylacridinium Ion via Photoinduced Electron Transfer Raman, Surface Enhanced Raman Spectroscopy, and DFT Calculations: A PowerfulApproach for the Identification and Characterization of 5-Fluorouracil AnticarcinogenicDrug Species Quantum-Admixture Model of High-Spin ↔ Low-Spin Transition for Ferrous ComplexMolecules N2O5 Reaction on Submicron Sea Salt Aerosol: Kinetics, Products, and the Effect ofSurface Active Organics High-Precision Quantum Thermochemistry on Nonquasiharmonic Potentials: ConvergedPath-Integral Free Energies and a Systematically Convergent Family of GeneralizedPitzer−Gwinn Approximations Thermodynamic Properties of Molecular Borane Phosphines, Alane Amines, and PhosphineAlanes and the [BH4-][PH4+], [AlH4-][NH4+], and [AlH4-][PH4+] Salts for ChemicalHydrogen Storage Systems from ab Initio Electronic Structure Theory Studies of Neutral and Ionic CuAr and CuKr van der Waals Complexes Computer Simulation of the Linear and Nonlinear Optical Susceptibilities of p-Nitroanilinein Cyclohexane, 1,4-Dioxane, and Tetrahydrofuran in Quadrupolar Approximation. I.Molecular Polarizabilities and Hyperpolarizabilities Comparative Study of the Bonding in the First Series of Transition Metal 1:1 ComplexesM−L (M = Sc, ..., Cu; L = CO, N2, C2H2, CN-, NH3, H2O, and F-) The Relations of Bond Length and Force Constant with the Potential Acting on an Electronin a Molecule Studies on Adsorption of 5-Amino Tetrazole on Silver Nanoparticles by SERS and DFTCalculations Excited-State Behavior of trans and cis Isomers of Stilbene and Stiff Stilbene: A TD-DFTStudy Comparison of the Electron Localization Function and Deformation Electron Density Mapsfor Selected Earth Materials Electron Localization Function as Information Measure A Multireference Coupled-Cluster Potential Energy Surface of Diazomethane, CH2N2 The Pentacyanocyclopentadienyl System: Structures and Energetics Computational and Spectroscopic Characterization of the Molecular and ElectronicStructure of the Pb(II)−Quercetin Complex Detailed TIMS Study of Ar/C2H2 Expanding Thermal Plasma: Identification of a-C:H FilmGrowth Precursors Conformational Analysis of 2,2‘-Bithiophene: A 1H Liquid Crystal NMR Study Using the13C Satellite Spectra Site−Site Potentials in Neopentane and Tetramethylsilane Finite Time Thermodynamics: Limiting Performance of Diffusion Engines and MembraneSystems Empirical Energy−Density Relationships Applied to the Analysis of the Basicity of StrongOrganic Superbases Spin Dynamics of the Radical Pair in a Low Magnetic Field Studied by the TransientAbsorption Detected Magnetic Field Effect on the Reaction Yield and Switched ExternalMagnetic Field

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