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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_38/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_38/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	38
Rights Holder	American Chemical Society
is Is Part Of of	Canard Explosion and Coherent Biresonance in the Rate Oscillation of CO Oxidation onPlatinum Surface Dependency of the Delocalized Charge Density and of the Structural Parameters on thePseudorotational Parameter φ in 1,1-Dicyanocyclopentane Quantum Chemical Study of Three Polymorphs of the Mononuclear Spin-TransitionComplex [Fe(DPPA)(NCS)2] Analysis of Charge-Transfer Absorption and Emission Spectra on an Absolute Scale: Evaluation of Free Energies, Matrix Elements, and Reorganization Energies Intramolecular Electron and Energy Transfer in an Axial ZnP−Pyridylfullerene ComplexAs Studied by X- and W-Band Time-Resolved EPR Spectroscopy Molecular Dynamics Study of Anisotropic Translational and Rotational Diffusion in LiquidBenzene Asymmetric Top Rotors in Electric Fields: Influence of Chaos and Collisions in MolecularBeam Deflection Experiments Theoretical Study toward Understanding Ultrafast Internal Conversion of Excited9H-Adenine Collision Cross Sections, Pressure-Broadening Coefficients and Second Virial Coefficientsfor the Acetylene-Argon Complex: Experiments and Calculations on a New PotentialEnergy Surface Joint QTAIM and Hirshfeld Study of the σ and π Charge Distribution and ElectronDelocalization in Carbonyl Compounds: A Comparative Study with the Resonance Model Proton Exchange and Transesterification Reactions of Acetate Enolates with Alcohols in theGas Phase Magnitude of Zero-Point Vibrational Corrections to Optical Rotation in Rigid OrganicMolecules: A Time-Dependent Density Functional Study Small Carbon Clusters Doped with Early Transition Metals: A Theoretical Study of ScCn,ScCn+, and ScCn- (n = 1−8) Open-Chain Clusters Infrared Spectra and ab Initio Calculations for the Cl-−(CH4)n (n = 1−10) Anion Clusters Conformation-Specific Spectroscopy of 4-Phenyl-1-butyne and 5-Phenyl-1-pentyne Mechanistic Insights into the Bazarov Synthesis of Urea from NH3 and CO2 UsingElectronic Structure Calculation Methods Bowls, Balls and Sheets of Boric Acid Clusters: The Role of Pentagon and Hexagon Motifs Computational Study of the Ion−Molecule Reactions Involving Fluxional Cations: CH4+ +H2 → CH5+ + H and Isotope Effect Ultrafast Spectroscopy of the Solvent Dependence of Electron Transfer in aPerylenebisimide Dimer Structure, Strain, and Degenerate Rearrangement of Tricyclo[2.1.0.0]pentasilane andRelated Molecules Synthesis and Multitopic Complex Formation of a Photochromic Bis(crown ether) Based onBenzobis(thiazole) Quasiclassical Trajectory Study of the F + CH4 Reaction Dynamics on a Dual-LevelInterpolated Potential Energy Surface Conformation-Specific Spectroscopy of 3-Benzyl-1,5-hexadiyne Photochemical Production and Release of Gaseous NO2 from Nitrate-Doped Water Ice Near-Infrared Absorption in Symmetric Squarylium and Croconate Dyes: A ComparativeStudy Using Symmetry-Adapted Cluster-Configuration Interaction Methods Oxidation of Hydroxylamine by Nitrous and Nitric Acids. Model Development from FirstPrinciple SCRF Calculations Theoretical Investigation of Uranyl Dihydroxide: Oxo Ligand Exchange, Water Catalysis,and Vibrational Spectra Isotopic Self-Exchange Reactions of Water: Evaluation of the Rule of the Geometric Meanin Liquid−Vapor Isotope Partitioning Quantitative Mass Spectrometric Identification of Isomers Applying Coherent LaserControl

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