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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2003/volume_107
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2003/volume_107/issue_20/m/print http://hub.abes.fr/acs/periodical/jpcafh/2003/volume_107/issue_20/m/web
Date Copyrighted	2003
Rights	Copyright © 2003 American Chemical Society
issue	20
Rights Holder	American Chemical Society
is Is Part Of of	Common Precursor Mechanism for the Heterogeneous Reaction of D2O, HCl, HBr, andHOBr with Water Ice in the Range 170−230 K: Mass Accommodation Coefficients on Ice Prototype Microsolvation of Aromatic Hydrocarbon Cations by Polar Ligands: IR Spectraof Benzene+−Ln Clusters (L = H2O, CH3OH) Significant Low-Order Effects in the Onset of Protonation and Related Interactions A Wavefunction-Based Criterion for the Detection of Intermolecular Interactions inMolecular Dynamics Simulations 57Fe Mössbauer Quadrupole Splittings and Isomer Shifts in Spin-Crossover Complexes:A Density Functional Theory Investigation Femtosecond Resonance-Enhanced Multiphoton Ionization of Perylene in Hexane.Electronic Excitation of the Radical Cation and Evidence of Hydrogen Abstraction from theSolvent Density Analysis of Intermolecular Orbital-Interaction Effects on the SecondHyperpolarizabilities of π−π Stacking Dimers Dielectric Spectroscopy of Aqueous Solutions of KCl and CsCl Comparison of BN and AlN Substitution on the Structure and Electronic and ChemicalProperties of C60 Fullerene Electronic and Infrared Spectroscopy of Anthranilic Acid in a Supersonic Jet Mechanism of Metal-to-Ligand Charge Transfer Sensitization of Olefin Trans-to-CisIsomerization in the fac-[ReI(phen)(CO)3(1,2-bpe)]+ Cation Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron ExcitationEnergy: Molecular Properties from Density Functional Theory Orbital Energies The Reaction of Dimethylsilylene with Carbon Tetrachloride in Solution Studied by Meansof Spin Chemistry and Laser Pulse Photolysis Methods Interaction of O2 with Gold Clusters: Molecular and Dissociative Adsorption Electronic and Vibrational Polarizabilities and Hyperpolarizabilities of Azoles:A Comparative Study of the Structure−Polarization Relationship A Quantum Mechanical Study on the Electrostratic Interactions of Poly(l-lysine)·AlkylSulfate Complexes Interaction of Y, Y2, Mo, and Mo2 with NH3. A Density Functional Study Addition Reactions of Silylenoids H2SiLiX (X = F, Cl) to Acetylene Effects of Substituents on Arsenic−Tin Triple Bonds: A Theoretical Study Density Functional Investigation of Hydrated V(II) and V(III) Ions: Influence of the SecondCoordination Sphere; Water Exchange Mechanism Photoisomerization and Photodissociation of m-Xylene in a Molecular Beam Mass-Resolved Nanosecond Laser Spectroscopy of Jet-Cooled Ferrocene in the Region ofthe 3dz2 → R4px,y One-Photon Rydberg Transition Structure, Bonding, and Vibrational Frequencies of CH3CN−BF3: New Insight intoMedium Effects and the Discrepancy between the Experimental and Theoretical Geometries Matrix Infrared Spectra and Density Functional Theory Calculations of Manganese andRhenium Hydrides Infrared Spectra of Nickel Octaethylporphyrin and Its Isotopomers Computed via DensityFunctional Theory−Scaled Quantum Mechanical (DFT−SQM) Method

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