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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_10/m/print http://hub.abes.fr/acs/periodical/jpcafh/2005/volume_109/issue_10/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	10
Rights Holder	American Chemical Society
is Is Part Of of	Unimolecular and Bimolecular Calculations for HN2 Influence of Pb(II) on the Radical Properties of Humic Substances and Model Compounds IR Kinetic Spectroscopy Investigation of the CH4 + O(1D) Reaction Ab Initio Study of the Influence of Trimer Formation on One- and Two-Bond Spin−SpinCoupling Constants Across an X−H−Y Hydrogen Bond: AH:XH:YH3 Complexes for A, X= 19F, 35Cl and Y = 15N, 31P Theoretical and Experimental Study of the Product Branching in the Reaction of AceticAcid with OH Radicals Femtosecond Fluorescence Dynamics of Rotation-Restricted Azobenzenophanes: NewEvidence on the Mechanism of trans → cis Photoisomerization of Azobenzene Detailed Modeling of the Reaction of C2H5 + O2 Nonadiabatic Time-Dependent Wave Packet Study of the D+ + H2 Reaction System Cα−H Bond-Stretching Frequency in Alcohols as a Probe of Hydrogen-Bonding Strength: A Combined Vibrational Spectroscopic and Theoretical Study of n-[1-D]Propanol Theoretical Study on Stability and Properties of NC2O Isomers Rydberg−Valence Mixing in the Carbon 1s Near-Edge X-ray Absorption Fine StructureSpectra of Gaseous Alkanes Multifrequency Time-Resolved Electron Paramagnetic Resonance Investigations afterPhotolysis of Phosphine Oxide Photoinitiators. Dependence of Triplet MechanismChemically Induced Dynamic Electron Polarization on Microwave Frequency Thermochemical Properties, Rotation Barriers, and Group Additivity for UnsaturatedOxygenated Hydrocarbons and Radicals Resulting from Reaction of Vinyl and PhenylRadical Systems with O2 Atmospheric Chemistry of Diethyl Methylphosphonate, Diethyl Ethylphosphonate, andTriethyl Phosphate Modeling the Competitive Dissociation of Protonated 2,3-Butanedione. The Enthalpy ofFormation of Methylhydroxycarbene Three Dimensional Quantum Dynamics of (H-, H2) and Its Isotopic Variants Mechanistic Studies of the Pyrolysis of 1,3-Butadiene, 1,3-Butadiene-1,1,4,4-d4,1,2-Butadiene, and 2-Butyne by Supersonic Jet/Photoionization Mass Spectrometry Anharmonic, Temperature, and Matrix Effects on the Molecular Structure and VibrationalFrequencies of Lanthanide Trihalides LnX3 (Ln = La, Lu; X = F, Cl) From Alcohols to SugarsHow Does the Reactivity of α-Hydroxyalkyl Radicals Changewith Structure? A Quantitative Examination by Pulse Radiolysis Proton Affinities of Borane−Amines: Consequences on Dihydrogen Bonding Steric Strain versus Hyperconjugative Stabilization in Ethane Congeners Breaking of Ketene Bonds during HCl Addition to Trimethylsilylketene Elucidation of the Electronic Structure of Molecules with the Help of NMR Spin−SpinCoupling Constants: The FH Molecule Non-Watson−Crick Base Pairing in RNA. Quantum Chemical Analysis of thecis Watson−Crick/Sugar Edge Base Pair Family Influence of Localized Excited States on the Transition Moment Directions of ChargeTransfer Complex Absorptions Hydrogen-Bond Formation between Isoindolo[2,1-a]indol-6-one and Aliphatic Alcohols inn-Hexane Influence of Substituents on the Anharmonicity of νs(OH) Vibration in Phenol DerivativesExplored by Experimental and Theoretical Approach Photophysics of Octabutoxy Phthalocyaninato-Ni(II) in Toluene: Ultrafast Experiments andDFT/TDDFT Studies UV-Induced Trithione → Trithiol Triple Proton Transfer in Trithiocyanuric Acid Isolatedin Low-Temperature Matrixes Comparison of the Photophysical Properties of Osmium(II) Bis(2,2‘:6‘,2‘ ‘-terpyridine) andthe Corresponding Ethynylated Derivative 248-nm Laser Photolysis of CHBr3/O-Atom Mixtures: Kinetic Evidence for UV CO(A)Chemiluminescence in the Reaction of Methylidyne Radicals with Atomic Oxygen Comment on “Computational Investigation ofSO3−NH3-nXn (n = 0−3; X = F, Cl)Interactions” One Electron Oxidation Induced Dimerization of 5-Hydroxytryptophol: Role of 5-HydroxySubstitution Reply to Comment on “ComputationalInvestigation of SO3−NH3-nXn (n = 0−3; X = F,Cl) Interactions” A TDDFT Study of the Optical Response of DNA Bases, Base Pairs, and Their Tautomersin the Gas Phase Ar-Matrix IR Spectra of 5-Halouracils Interpreted by Means of DFT Calculations Combined Theoretical and Experimental Deep-UV Resonance Raman Studies of SubstitutedPyrenes Direct Observation of the 4-Methoxyphenylnitrene Intersystem Crossing from S1 to T1Using Picosecond Kerr-Gated Time-Resolved Resonance Raman Spectroscopy Ozonolysis of Fluoroethene: Theoretical Study of Unimolecular Decomposition Paths ofPrimary and Secondary Fluorozonide Protonated Serine Octamer Cluster: Structure Elucidation by Gas-Phase H/D ExchangeReactions Comprehensive Density Functional Theory Study on Serine and Related Ions in Gas Phase: Conformations, Gas Phase Basicities, and Acidities A Fast Flow Tube Study of Gas Phase H/D Exchange of Multiply Protonated Ubiquitin Calculation of Vibrational Spectra of Linear Tetrapyrroles. 3. Hydrogen-BondedHexamethylpyrromethene Dimers

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