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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/1998/volume_102
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/1998/volume_102/issue_20/m/print http://hub.abes.fr/acs/periodical/jpcafh/1998/volume_102/issue_20/m/web
Date Copyrighted	1998
Rights	Copyright © 1998 American Chemical Society
issue	20
Rights Holder	American Chemical Society
is Is Part Of of	Variety of [Fe, N, O] Isomers. A Theoretical Study Stabilized Koopmans' Theorem Calculations on the π* Anion States of1,4,5,8-Tetrahydronaphthalene Theoretical Study of the Photodecomposition of Methyl Hg Complexes Insight into Chemical Reactions from First-Principles Simulations: The Mechanism of theGas-Phase Reaction of OH Radicals with Ketones Gas-Phase Basicity of Glycine: A Comprehensive ab Initio Study Hydrolysis of Ferric Ion in Water and Conformational Equilibrium Ab Initio Study of Intramolecular Proton Transfer in Formohydroxamic Acid Laser Flash Photolysis Studies on the Monohydroxy Derivatives of Benzophenone Photochemical Reaction Dynamics of O(1D) with Saturated Hydrocarbons, CH4, C2H6, andC3H8, under Bulk Conditions and in van der Waals Complexes Hydrogen-Bonding Cooperativity and Competing Inter- and Intramolecular Associations: A Unified Approach Coordination Geometry of the Copper−Pyridine Complex in Frozen Solution As Studied byProton and Deuterium Two-Dimensional Hyperfine Sublevel Correlation Electron SpinResonance Spectroscopy Substituent Effects in Mixed Trihalobenzenes Consecutive Biradicals during the Photolysis of2,12-Dihydroxy-2,12-dimethylcyclododecanone: Low- and High-Field Chemically InducedDynamic Nuclear Polarizations (CIDNP) Study Analysis of a Solid-State Conformational Rearrangement Using 15N NMR and X-rayCrystallography A 2Σ+ ← X 2Π Electronic Absorption Spectrum of CCO- in a Neon Matrix Electron Energy Loss and DFT/SCI Study of the Singlet and Triplet Excited States andElectron Attachment Energies of Tetramethylsilane, Hexamethyldisilane,Tris(trimethylsilyl)silane, and Tetramethoxysilane Investigation on the Insertion Channel in the S(3P) + H2 Reaction Excited-State Reaction Dynamics of Chlorine Dioxide in Water from Absolute ResonanceRaman Intensities Photodissociation of Gas-Phase Polycylic Aromatic Hydrocarbon Cations Influence of Ancillary Ligands on the Kinetics and the Thermodynamics of H2 Addition toIrXH2(PR3)2 (X = Cl, Br, I and R = H, Me): Comparison between Density FunctionalTheory and Perturbation Theory Electronic Spectroscopy of Carbon Chains Thermochemical and Kinetic Analysis of the H, OH, HO2, O, and O2 Association Reactionswith Cyclopentadienyl Radical Reactivity Indices in Density Functional Theory: A New Evaluation of the CondensedFukui Function by Numerical Integration

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