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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_47/m/print http://hub.abes.fr/acs/periodical/jpcafh/2003/volume_107/issue_47/m/web
Date Copyrighted	2003
Rights	Copyright © 2003 American Chemical Society
issue	47
Rights Holder	American Chemical Society
is Is Part Of of	Low-Temperature Kinetics of Reactions of OH Radical with Ethene, Propene, and 1-Butene Microstructure and Water Adsorbability of Aircraft Combustor Soots and Kerosene FlameSoots: Toward an Aircraft-Generated Soot Laboratory Surrogate Comparison of Gas-Phase and Solution-Phase Reactions of Dimethyl Sulfide and 2-(Methylthio)ethanolwith Hydroxyl Radical Assessment of Quantum Mechanical Models Based on Resolved Orbital MomentumDistributions of n-Butane in the Outer Valence Shell Theoretical Study of the Fragmentation of the β-Lactam Ring: Ozonolysis of3-Methoxy-4-methyl-N-(ethylideneamino)-2-azetidinone NMR Evidence of Weak Continuous Transitions in Water and Aqueous ElectrolyteSolutions Global and Local Reactivity and Activation Patterns of HOOX (X = H, NO2, CO2-, SO3-)Peroxides with Solvent Effects Molecular Dynamics Simulations of Self-Diffusivities, Corrected Diffusivities, and TransportDiffusivities of Light Gases in Four Silica Zeolites To Assess Influences of Pore Shape andConnectivity Rearrangements of 2-Nitrobenzyl Compounds. 2. Substituent Effects on the Reactions of theQuinonoid Intermediates Coherent Control of Oscillatory Excitation Transfer in Dithia-1,5[3,3]anthracenophane by aPhase-Locked Femtosecond Pulse Pair Electronic Energy and Multipolar Moments Characterize Amino Acid Side Chains intoChemically Related Groups Computational Study of the Interaction in X-(CH3NH2)n Clusters (X = F, Cl; n = 1−4).The Balance between Ion−Molecule and Molecule−Molecule Interactions A Theoretical Study of C4B Isomers. The Interconversion of CCBCC and CCCCB viaCyclic C4B Kinetic Analysis of the Thermal Isomerizations Linking1-(E)-Propenyl-2-methylcyclobutanes with (Z)- and (E)-1,5-Octadiene and3-Ethylhexa-1,5-diene The Compressed Hydrogen Bond in a Molecular Proton Cage Photodegradation of Sulfonylurea Molecules: Analytical and Theoretical DFT Studies Evaluation of the Hartree−Fock Dispersion (HFD) Model as a Practical Tool for ProbingIntermolecular Potentials of Small Aromatic Clusters: Comparison of the HFD and MP2Intermolecular Potentials Chromium−Chromium Multiple Bonding in Cr2(CO)9 An Alternative Mechanism for the Dimerization of Formic Acid Ab Initio Investigation of Structures and Stability of SinCm Clusters Lithium-pyrazole-3,4,5-tricarbonitrile: Ion Pairing and Lithium Ion Affinity Studies Density Functional Study of the Structures and Energies of CnP3- (n = 2−8) Clusters Photodissociation Studies of Mass-Selected Complex CationsMg+(N,N-dimethylformamide)1,2 Dimerization by Hydrogen Bonding and Photochemical Properties of Dipyridone A New, Self-Contained Asymptotic Correction Scheme To Exchange-Correlation Potentialsfor Time-Dependent Density Functional Theory Dynamics and Mechanism of Bromate Oscillators with 1,4-Cyclohexanedione Analytic and Variational Xα in the Slater−Roothaan Method Kinetics and Mechanism of the Chlorine Dioxide-Tetrathionate Reaction Effect of the Conformational Kinetic Energy and the Rotovibrational Coupling in theConformational Population of Bioactive Compounds

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