About: http://hub.abes.fr/acs/periodical/jpcafh/2003/volume_107/issue_19/w

Documentation

scienceplus.abes.fr version Bêta

scienceplus.abes.fr | explorer

À propos de : http://hub.abes.fr/acs/periodical/jpcafh/2003/volume_107/issue_19/w Goto Sponge NotDistinct Permalink

Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2003/volume_107
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2003/volume_107/issue_19/m/print http://hub.abes.fr/acs/periodical/jpcafh/2003/volume_107/issue_19/m/web
Date Copyrighted	2003
Rights	Copyright © 2003 American Chemical Society
issue	19
Rights Holder	American Chemical Society
is Is Part Of of	Ab Initio Studies of ClOx Radical Reactions: V. Evidence for a New Path in the Cl +ClOOCl Reaction Exposing Solvent's Roles in Electron Transfer Reactions: Tunneling Pathway and Solvation Photoisomerization and Tunneling Isomerization of Tetrachlorohydroquinone in aLow-Temperature Argon Matrix Femtosecond Photolysis of HOCl(aq): Dissipation of Fragment Kinetic Energy Kinetics of Isomerization via Photoinduced Electron Transfer. I. Spectral Analysis andStructural Reorganization of Hexamethyl Dewar Benzene Exciplexes Electron Spin−Echo Envelope Modulation Induced by Slow Intramolecular Motion Chemical Reactivity in the {N, NS, v(r)} Space Large Phosphorus Hyperfine Coupling as a Sensitive Tool for Studying MolecularDynamics: ESR and Molecular Mechanics Studies of Ring Interconversion in thecis-2,5-Diphosphoryl-2,5-dimethyl-pyrrolidinoxyl Radical Time-Resolved Fluorescence Study on Liquid Oligo(ethylene oxide)s: Coumarin 153 inPoly(ethylene glycol)s and Crown Ethers The Reaction of HCCO + O2: Experimental Evidence of Prompt CO2 by Time-ResolvedFourier Transform Spectroscopy Large Off-Diagonal Contribution to the Second-Order Optical Nonlinearities of Λ-ShapedMolecules Thermochemical and Kinetic Analysis of the Formyl Methyl Radical + O2 Reaction System A Theoretical Study on the Kinetics of Hydrogen Abstraction Reactions of Methyl orHydroxyl Radicals with Hydrogen Sulfide Steady-State Distributions of O2 and OH in the High Atmosphere and Implications in theOzone Chemistry Flexible Molecular Model of Methanol for a Molecular Dynamics Study of Liquid andSupercritical Conditions Robust and Affordable Multicoefficient Methods for Thermochemistry and ThermochemicalKinetics: The MCCM/3 Suite and SAC/3 New Quantum Chemical Parameter for the Substituent Effect in Benzene Based on ChargeFlux Role of Cancellation of Errors in Ab InitioCalculations: Structure and Energetics of the OH- (H2O)System and Electric Dipole Properties of the Subsystems Ab Initio Studies of ClOx Reactions: VI. Theoretical Prediction of Total Rate Constant andProduct Branching Probabilities for the HO2 + ClO Reaction Calculation of the Microscopic and Macroscopic Linear and Nonlinear Optical Properties ofAcetonitrile: I. Accurate Molecular Properties in the Gas Phase and Susceptibilities of theLiquid in Onsager's Reaction-Field Model Absolute Reaction Rates of Chlorine Atoms with CF3CH2OH, CHF2CH2OH, andCH2FCH2OH Information Theoretic Approach to Fluctuations and Electron Flows between MolecularFragments Reduced Mass in the One-Dimensional Treatmentof Tunneling Kinetics and Thermochemistry for the Gas-Phase Keto−Enol Tautomerism ofPhenol ↔ 2,4-Cyclohexadienone Theoretical Investigation of the Kinetics for the Reactions of Atomic Hydrogen withGeH(4-n)Cln (n = 0, 1, 2, 3) Influence of Stacking Interactions on NMR Chemical Shielding Tensors in Benzene andFormamide Homodimers as Studied by HF, DFT and MP2 Calculations Hydration of Alkylammonium Ions in the Gas Phase Model Valence-Bond Studies of Aspects of Electron Conduction along a Linear Chain ofLithium Atoms Molecular Structure of Butanediol Isomers in Gas and Liquid States: Combination of DFTCalculations and Infrared Spectroscopy Studies Oligo(Cyclohexylidene)s and Oligo(Cyclohexyl)s as Bridges for Photoinduced IntramolecularCharge Separation and Recombination Contrasting Behaviors of Metal Fullerides C60Rhx and C60Mx (M = La, Y) in theMetallofullerene Formation by Laser Ablation Charge Hopping in Molecular Wires as a Sequence of Electron-Transfer Reactions Influence of Superfluidity on Recombination Reactions of H + T → HT and T + T → T2 in3He−4He Quantum Media under Saturated Vapor Pressure at 1.6 K Geometries and Electronic Structures of Group 10 and 11 Metal Carbonyl Cations,[M(CO)n]x+ (Mx+ = Ni2+, Pd2+, Pt2+, Cu+, Ag+, Au+; n = 1−4) Spectroscopy of Hydrothermal Reactions. 24. Kinetics of Alkyl Azide DecompositionChannels and N3- Behavior in Water above 200 °C at 275 Bar Time-Resolved Resonance Raman Study of Triplet Arylnitrenes and Their DimerizationReaction 7Li Solid-State Nuclear Magnetic Resonance as a Probe of Lithium Species in MicroporousCarbon Anodes Conical Intersections in Solution: A QM/MM Study Using Floating OccupationSemiempirical Configuration Interaction Wave Functions N−H···π Interactions in Indole···Benzene-h6,d6 and Indole···Benzene-h6,d6 Radical CationComplexes. Mass Analyzed Threshold Ionization Experiments and Correlated ab InitioQuantum Chemical Calculations An Extension of the Hammond Postulate. Structural Effects on the Classification ofChemical Reactions Effect of Moisture on the Field Dependence of Mobility for Gas-Phase Ions ofOrganophosphorus Compounds at Atmospheric Pressure with Field Asymmetric IonMobility Spectrometry A Mechanical Force Accompanies Fluorescence Resonance Energy Transfer (FRET) Catalytic Model Reactions for the HCN Isomerization. II. Theoretical Investigation of anAnionic Pathway Spectroscopically Probing Microscopic Solvent Properties of Room-Temperature IonicLiquids with the Addition of Carbon Dioxide NH Stretching Vibrations of Jet-Cooled Aniline and Its Derivatives in the Neutral andCationic Ground States A Laser Flash Photolysis Study of Diphenylphosphoryl Azide. Kinetics of Singlet andTriplet Nitrene Processes Connection between Proton Abnormal Conductivity in Water and Dielectric RelaxationTime ReaxFFSiO Reactive Force Field for Silicon and Silicon Oxide Systems Attempts To Observe Spin Catalysis by Paramagnetic Particles in the Photolysis of7-Silanorbornadiene in Solution Ab Initio Prediction of the Potential Energy Surface and Vibrational−Rotational EnergyLevels of X2A‘ BeOH Kinetic Study of the Recombination Reaction of Gas Phase Pd(aS0) with O2 from294 to 523 K Catalytic Model Reactions for the HCN Isomerization. I. Theoretical Characterization ofSome Water-Catalyzed Mechanisms Direct Measurement of Singlet−Triplet Splitting within Rodlike Photogenerated Radical IonPairs Using Magnetic Field Effects: Estimation of the Electronic Coupling for ChargeRecombination Semiclassical Calculation of Reaction Rate Constants for Homolytical Dissociation Reactionsof Interest in Organometallic Vapor-Phase Epitaxy (OMVPE) Intramolecular Charge-Transfer Dynamics in p-Dimethylaminobenzonitrile·AcetonitrileClusters. A New Twist Electronic Absorption Spectra of Neutral Perylene (C20H12), Terrylene (C30H16), andQuaterrylene (C40H20) and Their Positive and Negative Ions: Ne Matrix-IsolationSpectroscopy and Time-Dependent Density Functional Theory Calculations Determination of Long-Range 13C−13C Dipolar Couplings Using a 13C LabeledLiquid Crystal

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata