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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111/issue_17/m/print http://hub.abes.fr/acs/periodical/jpcafh/2007/volume_111/issue_17/m/web
Date Copyrighted	2007
Rights	Copyright © 2007 American Chemical Society
issue	17
Rights Holder	American Chemical Society
is Is Part Of of	Computational Study of the Reaction between Biogenic Stabilized Criegee Intermediatesand Sulfuric Acid Reactions of Laser-Ablated La and Y Atoms with CO: Matrix Infrared Spectra and DFTCalculations of the M(CO)x and MCO+ (M = La, Y; x = 1−4) Molecules Diketone Radical Cations: Ketonic and Enolic Forms As Revealed by Matrix EPR Studiesand DFT Calculations Hydrogen-Bond Disruption by Vibrational Excitations in Water Hydrogen Bonds with π and σ Electrons as the Multicenter Proton Acceptors: High Levelab Initio Calculations Unraveling the Formation of HCPH(X2A‘) Molecules in Extraterrestrial Environments: Crossed Molecular Beam Study of the Reaction of Carbon Atoms, C(3Pj), with Phosphine,PH3(XA1) Improved Determination of Structural Changes of 2-Pyridone-(H2O)1 uponElectronic Excitation Ultrafast Relaxation Dynamics of Perchlorinated Cycloheptatriene in Solution Photoelectron Spectrum of Isolated Ion-Pairs in Ionic Liquid Vapor Overall Considerations on the Quenching of PH2(Ã2A1) and New Effects inCollision-Induced V−V Energy Transfer of PH2(X̃2B1; v2‘ ‘ = 1) Vibrational Assignment of the Raman Active Modes of 1,10-phenanthroline-5,6-dione UsingDFT Calculations Probing P−H+−P Hydrogen Bonds: Structures, Binding Energies, and Spin−SpinCoupling Constants Blue-Shifting Intramolecular C−H···O Interactions Aggregation Properties of Heavy Atom Substituted Squaraine Dyes: Evidence for theFormation of J-Type Dimer Aggregates in Aprotic Solvents Front Waves in the NO + NH3 Reaction on Pt{100} A Gas-Phase Kinetic Study of the Reaction between Bromine Monoxide and MethylperoxyRadicals at Atmospheric Temperatures Dehydrogenation of Methanol by Vanadium Oxide and Hydroxide Cluster Cations in theGas Phase Hydration of Cyclohexylamines: CPCM Calculation of Hydration Gibbs Energy of theConformers Experimental and Theoretical Study on the Structure and Formation Mechanism of[C6H5Cum]- (m = 1−3) Ab Initio Characterization of (CH3IO3) Isomers and the CH3O2 + IO Reaction Pathways Linear Solvation Energy Parameters for Model Tropospheric Aerosol Surfaces Excited-State Distortions of Cyclometalated Ir(III) Complexes Determined from theVibronic Structure in Luminescence Spectra Vibrational Spectra, Ab Initio Calculations, and Ring-Puckering Potential Energy Functionfor γ-Crotonolactone Nonlinear Vibrational Spectroscopic Studies of the Adsorption and Speciation of Nitric Acidat the Vapor/Acid Solution Interface Excitation Energies and Photoabsorption Oscillator Strengths of the Rydberg Series inCF3Cl. A Linear Response and Quantum Defect Study Axial Halogen Ligand Effect on Photophysics and Optical Power Limiting of Some IndiumNaphthalocyanines Mass Spectral Evidence That Small Changes in Composition Caused by Oxidative AgingProcesses Alter Aerosol CCN Properties DFT Energy Surfaces for Aminopurine Homodimers and Their Conjugate Acid Ions Heterogeneous Reactions of Gaseous HNO3 and NO2 on the Clay Minerals Kaolinite andPyrophyllite Conformation of l-Tyrosine Studied by Fluorescence-Detected UV−UV and IR−UVDouble-Resonance Spectroscopy Laser-Induced Fluorescence Spectrum of 3-Vinyl-1H-indene Enhanced Diradical Nature in Oxyallyl Derivatives Leads to Near Infra Red Absorption: A Comparative Study of the Squaraine and Croconate Dyes Using ComputationalTechniques†

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