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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2001/volume_105
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2001/volume_105/issue_13/m/print http://hub.abes.fr/acs/periodical/jpcafh/2001/volume_105/issue_13/m/web
Date Copyrighted	2001
Rights	Copyright © 2001 American Chemical Society
issue	13
Rights Holder	American Chemical Society
is Is Part Of of	Heterogeneous Reactivity of Gaseous Nitric Acid on Al2O3, CaCO3, and Atmospheric DustSamples: A Knudsen Cell Study Kinetics of Reactions of H Atoms With Methane and Chlorinated Methanes Is the H2OCl+ Ion a Viable Intermediate for the Hydrolysis of ClONO2 on Ice Surfaces? Quantum Chemical Descriptions of FOOF: The Unsolved Problem of Predicting ItsEquilibrium Geometry Solvation Effects on the SN2 Reaction between CH3Cl and Cl- in Water Observation of Perfluoromethylnitrene in Cryogenic Matrixes Structure and Dynamics of Maleic Anhydride Pressure and Temperature Dependence of the 7F0 → 5D0 Excitation Spectrum ofEuropium(III) as a Probe of the Thermodynamics and Solution Structure of Complexes ofEuropium(III) with Polyaminocarboxylate Ligands Theoretical Bond Energies: A Critical Evaluation 2D-Measurement of Penning Ionization Cross Section upon Molecular Orientation andCollision Energy in Ar(3P2,0) + CHCl3 Crossed Beam Reaction Zero-Order Conversion Kinetics of Dilithium Adduct of Diphenyl Acetylene: EnhancedStationary State Approximation Steric Effects in SN2 Reactions. The Influence of Microsolvation Microscopic Structure in a Shpol'skii System: A Single-Molecule Study ofDibenzanthanthrene in n-Tetradecane Line Broadening and Line Shifts in One- and Two-Photon Single-Molecule Spectra CO Chemiluminescence and Kinetics of the C2 + O2 Reaction Electron-Spin Magnetic Moment (g Factor) of X2Σ+ Diatomic Radicals MX(±) with NineValence Electrons (M = Be, B, Mg, Al; X = N, O, F, P, S, Cl). An ab Initio Study Sulfite Stabilization and Reduction of the Aqueous Mercuric Ion: Kinetic Determination ofSequential Formation Constants High-Resolution Inner-Shell Photoabsorption and Dissociation of Ozone A Theoretical Study of the Gas-Phase Pyrolysis of 2-Azidoacetic Acid Sonolysis of 2,4-Dichlorophenoxyacetic Acid in Aqueous Solutions. Evidence for•OH-Radical-Mediated Degradation DFT Modeling of Chemical Vapor Deposition of GaN from Organogallium Precursors. 2.Structures of the Oligomers and Thermodynamics of the Association Processes Coherent Response of Hydrogen Bonds in Liquids Probed by Ultrafast VibrationalSpectroscopy Ab initio Based Configuration Interaction Study of the Electronic Spectrum of GeS A Theoretical Investigation of the Triplet Carbon Atom C(3P) + Vinyl Radical C2H3(2A‘)Reaction and Thermochemistry of C3Hn (n = 1−4) Species Solvent Effect on Rotational Relaxation Time of Ammonium Ion Delocalization of Electrons in Molecules Theoretical Study on Reaction Mechanism of the Methylidyne Radical with NitrogenDioxide Observed and Calculated Infrared Spectra of Pd(H2)1,2,3 Complexes and PalladiumHydrides in Solid Argon and Neon Matrix Isolation Infrared and ab Initio Study of the 1:1 Complexes of Cyclopentadiene withNitrogen and Oxygen Bases: C−H···N(O) Hydrogen Bonding Involving an sp3-HybridizedCarbon Enthalpy Surfaces for Hydrogen Atom Transfer in a Molecular Crystal Time-Domain Observation of External Magnetic Field Effects on the Delayed Fluorescenceof N,N,N‘,N‘-Tetramethyl-1,4-phenylenediamine in Alcoholic Solution The Optical Spectra of NiP, NiPz, NiTBP, and NiPc: Electronic Effects of Meso-tetraazaSubstitution and Tetrabenzo Annulation Reply to “Comment on Phantom ActivationVolumes” Experimental and Theoretical Studies of the Reactions of Excited Calcium Atoms withEthyl and n-Propyl Bromides Dynamics of the H + O2 → O + OH Chain-Branching Reaction: Accurate QuantumMechanical and Experimental Absolute Reaction Cross Sections A Spectroscopic and Theoretical Investigation of Charge Transfer Complexes betweenSilver and Nitric Oxide: Infrared Spectra and Density Functional Calculations ofAgNO+,0,- and Agx(NO)y Clusters (x, y = 1, 2) in Solid Argon and Neon How Well Can Hybrid Density Functional Methods Predict Transition State Geometriesand Barrier Heights? U-Shaped Donor [Bridge] Acceptor Systems with Remarkable Charge Transfer FluorescentProperties: An Experimental and Computational Investigation DFT Modeling of Chemical Vapor Deposition of GaN from Organogallium Precursors. 1.Thermodynamics of Elimination Reactions An ab Initio Study of Anharmonicity and Field Effects in Hydrogen-Bonded Complexes ofthe Deuterated Analogues of HCl and HBr with NH3 and N(CH3)3 Conformational Stabilization of 1,3-Benzodioxole: Anomeric Effect by Natural BondOrbital Analysis Reaction Pathways of the Electron Transfer from Photoexcited 10-Methylphenothiazines toElectron Acceptors in Polar Solvents. Effects of Magnetic Fields and Heavy Atoms onEfficiency of Free Ion Formation The Effect of Criegee-Intermediate Scavengers on the OH Yield from the Reaction of Ozonewith 2-methylbut-2-ene Thermal Reactions of Isodihydrobenzofuran: Experimental Results and ComputerModeling Vibronic Spectroscopy of Benzyl-Type Radicals: Jet-Cooled o-Fluorobenzyl Radical in theD1 → D0 Transition Thiouracils: Acidity, Basicity, and Interaction with Water The Semiclassical Initial Value Representation: A Potentially Practical Way for AddingQuantum Effects to Classical Molecular Dynamics Simulations Experimental and Theoretical Studies of the VUV Photoionization of ChloropropyleneOxide Carbon-13 NMR Chemical Shifts of Dimeric Model Compounds of Poly(propylene Oxide): A Proof of Existence of the (C−H)···O Attraction Infrared Frequency-Modulation Probing of Product Formation in Alkyl + O2 Reactions: II. The Reaction of C3H7 with O2 between 296 and 683 K Thermochromism of Salicylideneanilines in Solution: Aggregation-controlled ProtonTautomerization Kinetic Study of the Reactions of BrO Radicals with HO2 and DO2 Raman and Fluorescence Spectra of Size-Selected, Matrix-Isolated C14 and C18 NeutralCarbon Clusters Density Functional Study of Reactions of Phenoxides with Polycarbonate Infrared Spectroscopic Study on Photolysis of Ethyl Iodide in Solid Parahydrogen: Perdeuterated Iodide System Laser Excitation Spectra of Large Alkoxy Radicals Containing 5−12 Carbon Atoms Comment on “Phantom Activation Volumes” The Geometric and Electronic Structures of Niobium Carbon Clusters Kinetics of the Reactions of Allyl and Propargyl Radicals with CH3 Evidence for a Continuous Transition from Nonadiabatic to Adiabatic Proton TransferDynamics in Protic Liquids Reversible Photoionization in Liquid Solutions Heisenberg Hamiltonian for Poly-ynes. Extraction and Tests

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