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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2008/volume_112
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2008/volume_112/issue_12/m/print http://hub.abes.fr/acs/periodical/jpcafh/2008/volume_112/issue_12/m/web
Date Copyrighted	2008
Rights	Copyright © 2008 American Chemical Society
issue	12
Rights Holder	American Chemical Society
is Is Part Of of	Photoinduced Electron Transfer of N-[(3- and 4-Diarylamino)phenyl]-1,8-NaphthalimideDyads: Orbital-Orthogonal Approach in a Short-linked D−A System Inelastic Scattering with Chebyshev Polynomials and Preconditioned Conjugate GradientMinimization Impact of Ligand Protonation on Higher-Order Metal Complexation Kinetics in AqueousSystems Formation of HydroxylRadical from the Photolysis of Frozen Hydrogen Peroxide Coordination Studies of Al-EDTA in Aqueous Solution Born−Oppenheimer Symmetry Breaking in the C̃ State of NO2: Importance of Static andDynamic Correlation Effects Infrared−Vacuum Ultraviolet Pulsed Field Ionization-Photoelectron Study of C2H4+Using a High-Resolution Infrared Laser Real-Time Observation of the Spin-State Mixing Process of a Micellized Radical Pair inWeak Magnetic Fields by Nanosecond Fast Field Switching Generalized van Vleck Perturbation Theory (GVVPT2) Study of the Excited States ofBenzene and the Azabenzenes Electronic Structure of LaF+ and LaF from Frozen-Core Four-Component RelativisticMulticonfigurational Quasidegenerate Perturbation Theory On Achieving Experimental Accuracy from Molecular Dynamics Simulations ofFlexible Molecules: Aqueous Glycerol Isotope Effects in Isotope-Exchange Reactions: Evidence for a Large 12C/13C KineticIsotope Effect in the Gas Phase Near-Infrared Photoluminescence from a Plutonyl Ion A Quantum Mechanical Study of the Decomposition of CF3OCF3 and CF3CF2OCF2CF3 inthe Presence of AlF3 Theoretical Study of the Reaction Mechanism of HCN+ and CH4 of Relevance to Titan'sIon Chemistry Controllability and Observability of the Photophysical System ofIntermolecular Two-State Excited-State Processes Semiempirical Double-Hybrid Density Functional with Improved Description ofLong-Range Correlation Toward Calculations of the 129Xe Chemical Shift in Xe@C60 at Experimental Conditions: Relativity, Correlation, and Dynamics Sensitivity Analysis of Uncertainty in Model Prediction Ab Initio Calculations on the Thermodynamic Properties of Azaspiropentanes Synthesis and Characterization of Protonated Zirconium Trisilicate and Its ExchangePhases with Strontium Combined Quantum Mechanical and Molecular Mechanics Studies of the Electron-TransferReactions Involving Carbon Tetrachloride in Solution Rotationally Resolved IR-Diode Laser Studies of Ground-State CO2 Excited by Collisionswith Vibrationally Excited Pyridine Excited State Hydrogen Bond Dynamics: Coumarin 102 in Acetonitrile−Water BinaryMixtures Theoretical Investigation of Molecular Properties of the First Excited State of the PhenoxylRadical Ab Initio Prediction of the Potential Energy Surface and Vibration−Rotation Energy Levelsof CaCl2 Anisotropic Pseudorotation of the Photoexcited Triplet State of Fullerene C60 in MolecularGlasses Studied by Pulse EPR Theoretical Investigation of Small Polyatomic Ions Observed in Inductively Coupled PlasmaMass Spectrometry: HxCO+ and HxN2+ (x = 1, 2, 3) How To Determine Whether Intramolecular H···H Interactions Can Be Classified asDihydrogen Bonds Effect of Substituting Oxygen for Terminal Nitrogen in Aniline Oligomers: a DFTComparison of Hydroxyl and Amino Terminated Aniline Trimers Non-RRKM Dynamics in the CH3O2 + NO Reaction System NMR Solvent Shifts of Acetonitrile from Frozen Density Embedding Calculations

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