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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/1999/volume_103
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/1999/volume_103/issue_44/m/print http://hub.abes.fr/acs/periodical/jpcafh/1999/volume_103/issue_44/m/web
Date Copyrighted	1999
Rights	Copyright © 1999 American Chemical Society Copyright © 1999 by the American Chemical Society
issue	44
Rights Holder	American Chemical Society by the American Chemical Society
is Is Part Of of	The Hammond Postulate and the Principle of Maximum Hardness in Some IntramolecularRearrangement Reactions Potential Curves for the Mg+Rn Complex Including Charge-Transfer States Density Functional Theory Studies of Hexamethylene Triperoxide Diamine Far-Infrared and Raman Spectra of the Ring-Puckering Vibration of 2,3-Dihydrothiophene.One- and Two-Dimensional Potential Energy Surfaces and the Barrier to Planarity High-Level ab Initio and Density Functional Theory Evaluation of Combustion ReactionEnergetics: NO2 and HONO Elimination from Dimethylnitramine The Standard Enthalpy of Formation of the 1-Adamantyl Cation in the Gas Phase. An Experimental and ab Initio Re-assessment Protonation and Deprotonation Enthalpies of Guanine and Adenine and Implications forthe Structure and Energy of Their Complexes with Water: Comparison with Uracil,Thymine, and Cytosine Overtone Investigation of Methyl-Substituted Pyridines Ab Initio Study of the Reactions between a Seriesof Substituted Singlet Nitrenium Ions and Water Call for ApplicantsIBM Graduate Student Awards in Computational Chemistry Generation, Characterization, and Deprotonation of Phenol Radical Cations Modeling Internal Energy Distributions in Ion Clusters: Comparison between Experimentand Simulations Uptake of Gas-Phase Ammonia. 2. Uptake by Sulfuric Acid Surfaces Uptake of Gas-Phase Ammonia. 1. Uptake by Aqueous Surfaces as a Function of pH Tetramethyleneethane (TME) Diradical: Experiment and Density Functional Theory Reachan Agreement Monohydride and Monofluoride Derivatives of B, Al, N and P. Theoretical Study of TheirAbility as Hydrogen Bond Acceptors Shock-Tube Studies on the Reactions of CF2(XA1) with O(3P) and H Atoms Proton-Assisted Hydration at Hydrophobic Sites in Protonated Ether and Keto Dimers Kinetic Isotope Effects of Proton Transfer Reaction for Amines by Ultrasonic RelaxationMethods: Unexpected Evidence from the Results in Ethylamine Solutions Isolation and Characterization by 13C NMR Spectroscopy of [84]Fullerene Minor Isomers Product Branching Ratios in the NH2 + NOReaction: A Re-Evaluation Theoretical Study of the Alkaline Hydrolysis of an Oxo-β-Lactam Structure Pathways for the Reaction of the Butadiene Radical Cation, [C4H6]•+, with Ethylene Reactions of Mixed PbM+/Methanol Clusters Orbital-Based Interpretation of Electron Density Differences in Ne2 and Polarized Ne andNe6+

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