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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_13/m/print http://hub.abes.fr/acs/periodical/jpcafh/2008/volume_112/issue_13/m/web
Date Copyrighted	2008
Rights	Copyright © 2008 American Chemical Society
issue	13
Rights Holder	American Chemical Society
is Is Part Of of	Experimental and Molecular Dynamics Simulation Study of the Sublimation andVaporization Energetics of Iron Metalocenes. Crystal Structures of Fe(η5-C5H4CH3)2 andFe[(η5-(C5H5)(η5-C5H4CHO)] Two-State Model Based on Electron-Transfer Reactivity Changes to Quantify theNoncovalent Interaction between Co(NH3)5Cl2+ and 18-Crown-6 Ether: The Effect ofSecond-Sphere Coordination on Electron-Transfer Processes Heterolytic Bond Dissociation in Water: Why Is It So Easy for C4H9Cl But Not forC3H9SiCl? Microsolvation of Hydrogen Sulfide: Exploration of H2S·(H2O)n and SH-·H3O+·(H2O)n-1(n = 5−7) Cluster Structures on Ab Initio Potential Energy Surfaces by the ScaledHypersphere Search Method Aqueous Photochemistry of Methyl-Benzoquinone A Kinetic and Mechanistic Study of the Amino Acid Catalyzed Aldol Condensation ofAcetaldehyde in Aqueous and Salt Solutions Influence of the Central Metal Ion on Nonlinear Optical and Two-Photon AbsorptionProperties of Push−Pull Transition Metal Porphyrins Ultrafast Intramolecular Charge Transfer with Strongly Twisted Aminobenzonitriles: 4-(Di-tert-butylamino)benzonitrile and 3-(Di-tert-butylamino)benzonitrile An Approach to Hydration of Model Silica Materials by Exploring Their Multiple MinimaHypersurfaces. The Role of Entropy of Association Ab Initio Modeling of the Electronic Circular Dichroism Induced in PorphyrinChromophores Molecular Structure and Conformations of para-Methylbenzene Sulfonamide andortho-Methylbenzene Sulfonamide: Gas Electron Diffraction and Quantum ChemicalCalculations Study Three-Dimensional Through-Space/Through-Bond Delocalization in Cyclophane Systems: AMolecule-in-Molecule Approach Activation Processes with Memory Effect of the Excitation Energy on the (HI)2 Nonadiabatic Photodissociation Dynamics Electronic State Spectroscopy of c-C5F8 Explored by Photoabsorption, Electron Impact,Photoelectron Spectroscopies and Ab Initio Calculations Theoretical Studies of Carbocations in Ion Pairs. 8. Search for Anchimeric Assistance inthe Ionization of 2-Butyl Cation Precursors Temperature Dependence of the Heterogeneous Reaction of Carbonyl Sulfide onMagnesium Oxide Identification of Active Sites of Biomolecules. 1. Methyl-α-mannopyranoside and FeIII 2,3-Diphenylbutadiene and Donor−Acceptor Functionalized Derivatives: Exploring theCompetition between Conjugation Paths in Branched π-Systems Molecular Content and Structure of Aqueous Organic Nanodroplets from theVapor−Liquid Nucleation Study of the Water/n-Nonane/1-Alcohol Series On the Origin of the Color in the Solid State. Crystal Structure and Optical andMagnetic Properties of 4-Cyanopyridinium Hydrogensquarate Monohydrate π and σ-Phenylethynyl Radicals and Their Isomers o-, m-, and p-Ethynylphenyl: Structures, Energetics, and Electron Affinities Instability of the Al42- “All-Metal Aromatic” Ion and Its Implications Structure and Energetics of Ammonia Clusters (NH3)n (n = 3−20) Investigated Using aRigid−Polarizable Model Derived from ab Initio Calculations Structural Evolution: Mechanism of Olefin Insertion in Hydroformylation Reaction Nature of Hydrogen Interaction and Saturation on Small Titanium Clusters Molecular Dynamics Study of the Thermal Behavior of Nanometer-Sized Au Hollow Cubes Experimental and Computational Investigation of Gas-Phase Reaction of Chlorine withn-Propanol: Observation of Chloropropanol Conformational Isomerization at RoomTemperature

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