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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111/issue_18/m/print http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111/issue_18/m/web
Date Copyrighted	2007
Rights	Copyright © 2007 American Chemical Society
issue	18
Rights Holder	American Chemical Society
is Is Part Of of	Understanding of Assembly Phenomena by Aromatic−Aromatic Interactions: BenzeneDimer and the Substituted Systems Density Functional Theory Study on Anti-resonance in Preresonance Raman Scattering forNaphthalene Molecules Noncovalent Interactions of Cu+ with N-Donor Ligands (Pyridine, 4,4-Dipyridyl,2,2-Dipyridyl, and 1,10-Phenanthroline): Collision-Induced Dissociation and TheoreticalStudies Ab Initio Analysis of the Structural Properties of Alkyl-Substituted Polyhedral OligomericSilsesquioxanes Photophysics of α,ω-Diphenyloctatetraene in the Vapor Phase Infrared Spectroscopy of Ozone−Water Complex in a Neon Matrix Possible Gas-Phase Reactions of H2/CH4/Tetramethylsilane in Diamond/β-SiCNanocomposite Film Deposition: An Ab-Initio Study Electronic Structure and Bonding of {Fe(PhNO2)}6 Complexes: A Density FunctionalTheory Study Correlation Effects in EOM-CCSD for the Excited States: Evaluated by AIM LocalizationIndex (LI) and Delocalization Index (DI) Production of Free Radicals and Triplets from Contact Radical Pairs and fromPhotochemically Generated Radical Ions Theoretical Study on the Second Hyperpolarizabilities of Phenalenyl Radical SystemsInvolving Acetylene and Vinylene Linkers: Diradical Character and Spin MultiplicityDependences Reaction of Acetaldehyde with Ni+: An Extended Theoretical Study of the DecarbonylationMechanism of Acetaldehyde by First-Row Transition Metal Ions Temperature Effect on the Absorption Spectrum of the Hydrated Electron Paired with aLithium Cation in Deuterated Water Matrix Isolation Infrared Spectroscopic and Theoretical Study of Group IV Metal OxideClusters: M2O2 and M2O4 Theoretical Study of the Dynamics of Ar Collisions with C2H6 and C2F6 atHyperthermal Energy Clusters of Hydrated Methane Sulfonic Acid CH3SO3H·(H2O)n (n = 1−5): A TheoreticalStudy The Structure of Uracil: A Laser Ablation Rotational Study Modeling of Branching Ratio Uncertainty in Chemical Networks by Dirichlet Distributions Photoinduced Dynamics of Hydrated Adenine Clusters Influence of Metal Cations on the Intramolecular Hydrogen-Bonding Network and pKa inPhosphorylated Compounds Quasi-Classical Trajectory Study of the F + CD4 Reaction Dynamics Infrared Spectroscopic and Density Functional Theory Study on the Reactions ofLanthanum Atoms with Carbon Dioxide in Rare-Gas Matrices Calculation of Electron Affinities of Polycyclic Aromatic Hydrocarbons and Solvation Energies of TheirRadical Anions Resonance-Assisted Hydrogen Bonds: A Critical Examination. Structure and Stability ofthe Enols of β-Diketones and β-Enaminones Hydration and Water-Exchange Mechanism of the UO22+ Ion Revisited: The Validity ofthe “n + 1” Model YinYang Atom: A Simple Combined ab Initio Quantum Mechanical Molecular MechanicalModel First-Principles Thermochemistry for the Production of TiO2 from TiCl4 The Substituted Alkyne 3-Heptyne is Eclipsed Spin Chemical Control of Photoinduced Electron-Transfer Processes inRuthenium(II)-Trisbipyridine-Based Supramolecular Triads: 2. The Effect of Oxygen,Sulfur, and Selenium as Heteroatom in the Azine Donor Stress Dependence of Sapphire Cathodoluminescence from Optically Active Oxygen Defectsas a Function of Crystallographic Orientation Luminescent Chemical Waves in the Cu(II)-Catalyzed Oscillatory Oxidation of SCN- Ionswith Hydrogen Peroxide

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