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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_30/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_30/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	30
Rights Holder	American Chemical Society
is Is Part Of of	Solvent Control on the Selective, Nonselective, and Absent Response of a PartiallySubstituted Lower Rim Calix(4)arene Derivative for Soft Metal Cations (Mercury(II) andSilver(I)). Structural and Thermodynamic Studies Quantum Wave Packet Study of the H+ + D2 Reaction on Diabatic Potential EnergySurfaces Orientation and Dynamics of Benzyl Alcohol and Benzyl Alkyl Ethers Dissolved in NematicLyotropic Liquid Crystals. 2H NMR and Molecular Dynamics Simulations Time-Resolved Measurements of Intramolecular Energy Transfer in Single Donor/AcceptorDyads Infinite-Basis Calculations of Binding Energies for the Hydrogen Bonded and StackedTetramers of Formic Acid and Formamide and Their Use for Validation of Hybrid DFTand ab Initio Methods Noble Gas−Transition Metal Complexes: Coordination of ScO+ by Multiple Ar, Kr, andXe Atoms in Noble Gas Matrixes Single Molecule Blinking and Photobleaching Separated by Wide-Field FluorescenceMicroscopy Experimental Matrix Isolation Study and Quantum-Mechanics-Based Normal-CoordinateAnalysis of the Anharmonic Infrared Spectrum of Picolinic Acid N-Oxide Aggregation of Methylene Blue in Frozen Aqueous Solutions Studied by Absorption Spectroscopy Electronic Structure and Electron Transport Characteristics of a Cobalt Complex Why Are the Ca2+ and K+ Binding Energies of Formaldehyde and Ammonia Reversed withRespect to Their Proton Affinities? Estimation, Computation, and Experimental Correction of Molecular Zero-PointVibrational Energies Nitrogen Activation via Three-Coordinate Molybdenum Complexes: Comparison of DensityFunctional Theory Performance with Wave Function Based Methods Two-Photon Absorption and First Nonlinear Optical Properties of Ionic OctupolarMolecules: Structure−Function Relationships and Solvent Effects ZEKE Spectroscopy and Theoretical Calculations of Copper−Methylamine Complexes Bond Strength of Chlorine Peroxide Global Search for Minimum Energy (H2O)n Clusters, n = 3−5 13C NMR Relaxation Rates in the Ionic Liquid 1-Methyl-3-nonylimidazoliumHexafluorophosphate Rates and Mechanisms for the Reactions of Chlorine Atoms with Iodoethane and2-Iodopropane Time Dependent Density Functional Theory Study of Electronic Absorption Properties ofLead(II) Complexes with a Series of Hydroxyflavones Prediction and Rationalization of Protein pKa Values Using QM and QM/MM Methods

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