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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_24/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_24/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	24
Rights Holder	American Chemical Society
is Is Part Of of	Theoretical Description of the Electronic Structure of the Alkali Hydride Cation NaH+ NLO Properties of Metallabenzene-Based Chromophores: A Time-Dependent DensityFunctional Study Ab Initio and Electron Propagator Theory Study of Boron Hydrides Conformational Transitions of Calixphyrin Derivatives Monitored byTemperature-Dependent NMR Spectroscopy. Ab Initio Interpretation of the Spectra Computational Studies of Cu(II)/Met and Cu(I)/Met Binding Motifs Relevant for theChemistry of Alzheimer's Disease Ion−Molecule Reaction Mechanism of SiCN+/SiNC+ + HX (X = H, CH3, F, OH, NH2) On the Relationship between the Preferred Site of Hydrogen Bonding and Protonation Magnitudes and Orientations of 31P Chemical Shielding Tensors in Pt(II)−PhosphineComplexes and Other Four-Fold Coordinated Phosphorus Sites Determination of the Rate Constants for the NCO(X2Π) + Cl(2P) and Cl(2P) +ClNCO(XA‘) Reactions at 293 and 345 K The Gas-Phase Dipeptide Analogue Acetyl-phenylalanyl-amide: A Model for the Study ofSide Chain/Backbone Interactions in Proteins Dynamic Mechanism of Photochemical Induction of Turing Superlattices in the ChlorineDioxide−Iodine−Malonic Acid Reaction−Diffusion System Intramolecular Charge-Transfer State Formation of 4-(N,N-Dimethylamino)benzonitrile inAcetonitrile Solution: RISM-SCF Study Unimolecular Decomposition of Formic Acid in the Gas PhaseOn the Ratio of theCompeting Reaction Channels Kinetics of the Reactions of Chlorinated Methyl Radicals (CH2Cl, CHCl2, and CCl3) withNO2 in the Temperature Range 220−360 K Relaxation Dynamics of the Hydrated Electron: Femtosecond Time-Resolved ResonanceRaman and Luminescence Study pH Oscillations in the BrO3-−SO32-/HSO3- Reaction in a CSTR A Systematically Generated, Pressure-Dependent Mechanism for High-Conversion EthanePyrolysis. 2. Radical Disproportionations, Missing Reaction Families, and the Consequencesof Pressure Dependence Theoretical UV Circular Dichroism of Aliphatic Cyclic Dipeptides Matrix Isolation and Density Functional Theory Study of Bis(trifluoromethyl)dioxodiazine: A Photodimer of Trifluoronitrosomethane Excited-State Double-Proton Transfer in the 7-Azaindole Dimer in the Gas Phase. 3.Reaction Mechanism Studied by Picosecond Time-Resolved REMPI Spectroscopy CH-Stretching Overtone Spectroscopy of 1,1,1,2-Tetrafluoroethane Characterization of the Conformational Probability of N-Acetyl-Phenylalanyl-NH2 by RHF,DFT, and MP2 Computation and AIM Analyses, Confirmed by Jet-Cooled Infrared Data Photochemical Sources of Organic Acids. 1. Reaction of Ozone with Isoprene, Propene, and2-Butenes under Dry and Humid Conditions Using SPME Ultrafast Photoinduced Electron Transfer within a Self-Assembled Donor−Acceptor System Exploring the Mechanism for the Synthesis of Silsesquioxanes. 4. The Synthesis of T8 Acetic Acid Vapor: 2. A Statistical Mechanical Critique of Vapor Density Experiments Trajectory Dynamics Study of the Ar + CH4 Dissociation Reaction at High Temperatures: the Importance of Zero-Point-Energy Effects Vibrational Relaxation of the Bending Mode of HDO in Liquid D2O Rotational Spectrum of the Dimethyl Ether−Acetylene Complex: Evidence for an EffectiveC2v Geometry Photochemical Sources of Organic Acids. 2. Formation of C5−C9 Carboxylic Acids fromAlkene Ozonolysis under Dry and Humid Conditions A Systematically Generated, Pressure-Dependent Mechanism for High-Conversion EthanePyrolysis. 1. Pathways to the Minor Products Electronic Structure, Excited States, and Photoelectron Spectra of Uranium, Thorium, andZirconium Bis(Ketimido) Complexes (C5R5)2M[−NCPh2]2 (M = Th, U, Zr; R = H, CH3) Accurate Measurement of the Exciton Diffusion Length in a Conjugated Polymer Using aHeterostructure with a Side-Chain Cross-Linked Fullerene Layer Acetic Acid Vapor: 1. Statistical/Quantum Mechanical Models of the Ideal Vapor On the Representation of Molecular Quadrupole Moments in Terms of Atomic Moments

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