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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_29/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_29/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	29
Rights Holder	American Chemical Society
is Is Part Of of	Polymerization of Ethylene Molecules Chemisorbed on CrOH+ as a Model System ofChromium-Containing Catalyst Rate Constants of the Reaction of NO3 with CH3I Measured with Use of Cavity Ring-DownSpectroscopy Quantum State-Resolved Study of the Four-Atom Reaction OH- (XΣ+) +D2 (X1Σg+, v = 0) → HOD (X1A‘, v‘) + D- (1S) Ab Initio Investigation of the Electronic Structure and Bonding of the HC(N2)x+ andHC(CO)x+ Cations, x = 1, 2 Dimers of Formic Acid, Acetic Acid, Formamide and Pyrrole-2-carboxylic Acid: an AbInitio Study Multicenter Bond Indices As a New Means for the Quantitative Characterization ofHomoaromaticity High-LET Radiolysis of Liquid Water with 1H+, 4He2+, 12C6+, and 20Ne9+ Ions: Effects ofMultiple Ionization Geometricaland Electronic Structure of Pt7 Cluster: A Density FunctionalStudy Roles of Hydrophobicity and Volatility of Organic Substrates on Sonolytic Kinetics inAqueous Solutions Unexpected Photophysical Properties of Symmetric Indolylmaleimide Derivatives Structure, Spectroscopy, and Spectral Tuning of the Gas-Phase Retinal Chromophore: Theβ-Ionone “Handle” and Alkyl Group Effect Theoretical Study on Reaction Mechanism of the Ketenylidene Radical withNitrogen Dioxide A New Method to Evaluate the Stability of the Covalent Compound: By the Charges on theCommon Atom or Group A Computational Study of the Reaction of Ground-State Nitrogen Atoms withChloromethyl Radicals Processing Multimode Binding Situations in Simulation-Based Prediction ofLigand−Macromolecule Affinities Water Pentamer: Characterization of the Torsional-Puckering Manifold by TerahertzVRT Spectroscopy The Tetrafluoro Analogue of DMABN: Anomalous Fluorescence and MechanisticConsiderations A Study of the Unimolecular Dissociation of the 2-Buten-2-yl Radical via the 193 nmPhotodissociation of 2-Chloro-2-butene Determination of Three-Center Bond Indices from Population Analyses: A Fuzzy AtomTreatment Topological Analysis of the Electron Density Distribution in Perturbed Systems. I. Effect ofCharge on the Bond Properties of Hydrogen Fluoride Excited-State Behavior of N-Phenyl-Substituted trans-3-Aminostilbenes: Where the“m-Amino Effect” Meets the “Amino-Conjugation Effect” Ab Initio Vibrational Calculations for H2SO4 and H2SO4·H2O: Spectroscopy and theNature of the Anharmonic Couplings Large Amplitude Out-of-Plane Vibrations of 1,3-Benzodioxole in the S0 and S1 States: AnAnalysis of Fluorescence and Excitation Spectra by ab Initio Calculations Formation of Nitric Acid in the Gas-Phase HO2 + NO Reaction: Effects of Temperatureand Water Vapor Theoretical Study of Isoelectronic Molecules: B6H10, 2-CB5H9, 2,3-C2B4H8, 2,3,4-C3B3H7,and 2,3,4,5-C4B2H6 Quantitative Description of the Deactivation Channels of the First Excited Singlet State of2- and 4-Thiosalicylic Acids New Relativistic ANO Basis Sets for Transition Metal Atoms Theoretical Study on the Reaction Mechanism of the Gas-Phase H2/CO2/Ni(3D) System Hydrothermal Carbon−Carbon Bond Formation and Disproportionations of C1 Aldehydes: Formaldehyde and Formic Acid Interaction Energies and NMR Indirect Nuclear Spin−Spin Coupling Constants in LinearHCN and HNC Complexes

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