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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2006/volume_110
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2006/volume_110/issue_49/m/print http://hub.abes.fr/acs/periodical/jpcafh/2006/volume_110/issue_49/m/web
Date Copyrighted	2006
Rights	Copyright © 2006 American Chemical Society
issue	49
Rights Holder	American Chemical Society
is Is Part Of of	Theoretical Study on Molecular Property of Protactinium(V) and Uranium(VI) Oxocations: Why Does Protactinium(V) Form Monooxo Cations in Aqueous Solution? Inelastic Electron Tunneling Spectroscopy and Vibrational Coupling Temporary Anion States and Dissociative Electron Attachment to Isothiocyanates TDDFT Studies of Absorption and SERS Spectra of Pyridine Interacting with Au20 Computational Study of the Reaction of Atomic Oxygen with Acetone in the Gas Phase DFT Studies on the Magnetic Exchange Across the Cyanide Bridge Superabsorbing Fullerenes: Spectral and Kinetic Characterization of PhotoinducedInteractions in Perylenediimide−Fullerene-C60 Dyads Conical Intersections in Thymine Systematic Approach To Obtain Analytic Solutions of Quasi Steady State Species inReduced Mechanisms Infrared Spectra and Density Functional Calculations of CH2MHX and CH⋮MH2XComplexes Prepared in Reactions of Methyl Halides with Mo and W Atoms Stereoisomer Discrimination in Complexes of Halogen-Substituted Difuranes and Li or NaCations Relativistic Study on Emission Mechanism in Palladium and Platinum Complexes Effects of Conjugation in Length and Dimension on Spectroscopic Properties ofFluorene-Based Chromophores from Experiment and Theory Vibrational Structures of Dimethyl Sulfide and Ethylene Sulfide Cations Studied byVacuum-Ultraviolet Mass-Analyzed Threshold Ionization (MATI) Spectroscopy Rate-Determining Cooperative Effects of Bimolecular Reactions in Solution Ultrafast Electron Transfer in a Nanocavity. Dimethylaniline to Coumarin Dyes inHydroxypropyl γ-Cyclodextrin Ionic−Covalent Character of Metal and Nonmetal Oxides Measurement of the Concentration of Mn2+ and Mn3+ in the Manganese-Catalyzed1,4-Cyclohexanedione−Acid−Bromate Reaction Using Redox-Triggered MagneticResonance Spectroscopy Electronic Structure of DNA Nucleobases and Their Dinucleotides Explored by Soft X-raySpectroscopy Ultrafast Intersystem Crossing in 9,10-Anthraquinones and Intramolecular ChargeSeparation in an Anthraquinone-Based Dyad Aromatic Hydrocarbon Nitration under Tropospheric and Combustion Conditions. ATheoretical Mechanistic Study The p-Difluorobenzene−Argon S1 Excited State Intermolecular Potential Energy Surface Heterogeneous Chemistry of Butanol and Decanol with Sulfuric Acid: Implications forSecondary Organic Aerosol Formation Polyacene Spacers in Intramolecular Magnetic Coupling Rotational Spectra and Conformational Structures of 1-Phenyl-2-propanol,Methamphetamine, and 1-Phenyl-2-propanone Group Additivity Methods without Group Values Rate Coefficient for the Reaction SiO + Si2O2 at T = 10−1000 K Density Functional for Spectroscopy: No Long-Range Self-Interaction Error, GoodPerformance for Rydberg and Charge-Transfer States, and Better Performance on Averagethan B3LYP for Ground States Classical vs Quantum Vibrational Energy Relaxation Pathways in Solvated PolyatomicMolecules Do Hydroxyl Radical−Water Clusters, OH(H2O)n, n = 1−5, Exist in the Atmosphere? Theoretical and Experimental Studies of the Spin Trapping of Inorganic Radicals by5,5-Dimethyl-1-Pyrroline N-Oxide (DMPO). 1. Carbon Dioxide Radical Anion Thermodynamic Functions of Conformational Changes: Conformational Network ofGlycine Diamide Folding, Entropy Lowering, and Informational Accumulation

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