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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_51/m/print http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111/issue_51/m/web
Date Copyrighted	2007
Rights	Copyright © 2007 American Chemical Society
issue	51
Rights Holder	American Chemical Society
is Is Part Of of	Gas-Phase Electronic Spectra of Two Substituted Benzene Cations: Phenylacetylene+ and4-Fluorostyrene+ Theoretical Studies on Hydrogen Bonding, NMR Chemical Shifts and Electron DensityTopography in α, β and γ-Cyclodextrin Conformers Multiple Bonds and Excited States from the Hartree−Fock−Heitler−London Method Molecular Simulation of the Hydration of Ethene to Ethanol Using Ab Initio Potentials andFree Energy Curves Topological Features of Both Electron Density and Electrostatic Potential in theBis(thiosemicarbazide)zinc(II) Dinitrate Complex Overtone-Induced Degradation of Perfluorinated Alcohols in the Atmosphere Matrix Isolation Infrared Spectroscopic and Density Functional Theory Studies on theReactions of Yttrium and Lanthanum Hydrides with Carbon Monoxide Superelectrophilic Activation of 4-Heterocyclohexanones. Implications for PolymerSynthesis. A Theoretical Study Fluorinated Diphenylpolyenes: Crystal Structures and Emission Properties Optical Heterodyne Detected Accumulated Acoustic Grating Responses in NearSupercritical Fluids Ozone Reactions with Alkaline-Earth Metal Cations and Dications in the Gas Phase: Room-Temperature Kinetics and Catalysis 8-Hydroxyquinoline Monomer, Water Adducts, and Dimer. Environmental Influences onStructure, Spectroscopic Properties, and Relative Stability of Cis and Trans Conformers High-Accuracy Extrapolated Ab Initio Thermochemistry of Vinyl Chloride One-Electron Oxidation and Reduction Potentials of Nitroxide Antioxidants: A TheoreticalStudy Crossed Molecular Beam Study on the Reaction of Boron Atoms, B(2Pj), with Allene,H2CCCH2(XA1) Vibronic Structure and Ion Core Interactions in Rydberg States of Diazomethane: AnExperimental and Theoretical Investigation Photophysics of a Xanthenic Derivative Dye Useful as an “On/Off” Fluorescence Probe IR−IR−UV Hole-Burning: Conformation Specific IR Spectra in the Face of UV SpectralOverlap Trapping and Release of CO2 Guest Molecules by Amorphous Ice Ionized State of Hydroperoxy Radical−Water Hydrogen-Bonded Complex: (HO2−H2O)+ Thermal Behavior of 1,1-Diamino-2,2-dinitroethylene Mechanistic Study on the Enantiodifferentiating Anti-Markovnikov Photoaddition ofAlcohols to 1,1-Diphenyl-1-alkenes in Near-Critical and Supercritical Carbon Dioxide Competition between Photochemistry and Energy Transfer in UV-Excited Diazabenzenes. 4.UV Photodissociation of 2,3-, 2,5-, and 2,6-Dimethylpyrazine Reactions of Sulfur Dioxide with Neutral Vanadium Oxide Clusters in the Gas Phase. I.Density Functional Theory Study Self-Interaction Corrected Density Functional Theory for the Study of IntramolecularElectron Transfer Dynamics in Radical Carbocations Resonance Raman Spectroscopy and Quantum-Chemical Calculations of Push−PullMolecules: 4-Hydroxy-4‘-nitroazobenzene and Its Anion Gas-Phase Structure of a π-Allyl−Palladium Complex: Efficient Infrared Spectroscopy in a7 T Fourier Transform Mass Spectrometer Effect of Cooperative Hydrogen Bonding in Azo−Hydrazone Tautomerism of Azo Dyes Probing the Dependence of Long-Range, Four-Atom Interactions on IntermolecularOrientation. 1. Molecular Hydrogen and Iodine Monochloride Photodynamics of Polyene−Polymethine Transformations and Spectral FluorescentProperties of Merocyanine Dyes Reactions of Hydrogen Atom with Hydrogen Peroxide Experimental and Computational Studies of Nuclear Substituted1,1‘-Dimethyl-2,2‘-Bipyridinium Tetrafluoroborates Electronic Structure and Photoionization and Dissociation Processes ofBis(trifluoromethoxy)disulfurylperoxide, CF3OS(O)2OOS(O)2OCF3 Collisions of Highly Vibrationally Excited Pyrazine (Evib = 37 900 cm-1) with HOD: State-Resolved Probing of Strong and Weak Collisions Hydrogen Bonding in Protonated Water Clusters: An Atoms-in-Molecules Perspective Covalent and Ionic Nature of the Dative Bond and Account of Accurate Ammonia BoraneBinding Enthalpies Raman Investigation of the CO2 Complex Formation in CO2−Acetone Mixtures π−H···O Hydrogen Bonds: Multicenter Covalent π−H Interaction Acts as theProton-Donating System Imaging the Dynamics of Reactions between Cl Atoms and theCyclic Ethers Oxirane and Oxetane Theoretical Analysis of Concerted and Stepwise Mechanisms of Diels−Alder Reactions ofButadiene with Silaethylene and Disilene Conformational Structure of Some Trimeric and Pentameric Structural Units of Heparin Modeling Metal Cation−Phosphate Interactions in Nucleic Acids in the Gas Phase viaAlkali Metal Cation−Triethyl Phosphate Complexes Bond Dissociation Energies and Radical Stabilization Energies: An Assessment ofContemporary Theoretical Procedures Chromium-Doped Germanium Clusters CrGen (n = 1−5): Geometry, Electronic Structure,and Topology of Chemical Bonding

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