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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2004/volume_108
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2004/volume_108/issue_50/m/print http://hub.abes.fr/acs/periodical/jpcafh/2004/volume_108/issue_50/m/web
Date Copyrighted	2004
Rights	Copyright © 2004 American Chemical Society
issue	50
Rights Holder	American Chemical Society
is Is Part Of of	Theoretical Study of the Interaction between Methyl Fluoride, Methyl Chloride, and MethylBromide with Hydrogen Peroxide Watching Hydrogen Bonds Break: A Transient Absorption Study of Water Temperature Dependence of Water Vibrational Spectrum: A Molecular DynamicsSimulation Study Theoretical Study of the Structures and Stabilities of Small CaCn, CaCn+, and CaCn- (n =1−8) Cyclic Clusters One-Electron Oxidation of Methionine in Peptide Environments: The Effect ofThree-Electron Bonding on the Reduction Potential of the Radical Cation Gas-Phase Metallation Reactions of Porphyrins with Metal Monocations Efficient Computation of Density-Functional Orbitally Resolved Reactivity Indices Theoretical Investigation of Organo-Noble Gas Compounds, HC(Ng)n+, n = 1, 2; Ng = He,Ne, Ar, Kr, and Xe. Evidence for Potentially Isolable HCArn+, HCKrn+, and HCXen+Species Quantum Dynamical Study of β-Hydrogen Transfer in Two Selected Late-Transition-MetalComplexes Infrared Cavity Ringdown Spectroscopy of Jet-Cooled Nucleotide Base Clusters and WaterComplexes Systematic Coupled Cluster, Brueckner Coupled Cluster, G3, CBS-QB3, and DFTInvestigation of SX Diatomics; X = First- or Second-Row Atom A Curve-Crossing Model for Oxidative Decarboxylation. Kinetics of Anilino CarboxylateFragmentations Pressure-Enhanced C−H···O Interactions in Aqueous tert-Butyl Alcohol Revising the Mechanism of the Permanganate/Oxalate Reaction Molecular Structures and Potential Energy Surfaces for IHI-·Arn (n = 1−7) Infrared Spectra and Density Functional Calculations of the BCS and B(CS)2 Molecules inSolid Argon Theoretical Study of Intramolecular SN2 Reactions of 3-Halogen or 3-HydroxypropanamidesTo Obtain β-Lactams Recombination and Reaction Dynamics Following Photodissociation of CH3OCl in Solution Multistep Thermal Relaxation of Photoisomers in Polyphotochromic Molecules O + CnH2n Products Detected via IR Emission. 1. O + C2H4 Kinetics of the Gas-Phase Reactions of OH and NO3 Radicals with Dimethylphenols Competitive Marcus-Type Electron Transfer and Energy Transfer from the Higher TripletExcited State Theoretical Investigation of the Ground-State Properties of DMTTF−CA: A Step towardthe Understanding of Charge Transfer Complexes Undergoing the Neutral-to-Ionic PhaseTransition A New Vibrational Spectroscopic Tool for the Determination of Peptide Conformation: TheIsotope-Edited CαHα Stretch Mode Sequential Forward S2−S2 and Back S1−S1 (Cyclic) Energy Transfer in a NovelAzulene−Zinc Porphyrin Dyad Infrared Spectra of Zn and Cd Hydride Molecules and Solids Thermodynamic Theory of Freezing and Melting of Water and Aqueous Solutions Hydroxyl Radical's Role in the Remediation of a Common Herbicide,2,4-Dichlorophenoxyacetic Acid (2,4-D) Liquid and Ice Water and Glycerol/Water Glasses Compared by Infrared Spectroscopyfrom 295 to 12 K Static and Dynamic Polarizabilities of Conjugated Molecules and Their Cations

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