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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/1997/volume_101
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/1997/volume_101/issue_35/m/print http://hub.abes.fr/acs/periodical/jpcafh/1997/volume_101/issue_35/m/web
Date Copyrighted	1997
Rights	Copyright © 1997 American Chemical Society
issue	35
Rights Holder	American Chemical Society
is Is Part Of of	Benchmark Calculations with Correlated Molecular Wave Functions. 11. Energetics of theElementary Reactions F + H2, O + H2, and H‘ + HCl Oscillatory Fluorescence Decay of an Electron Donor−Acceptor Complex Phthalonaphthalocyanines: New Far-Red Dyes for Spectral Hole Burning Rotational Coherence Measurements and Structure Calculations of Hydrogen-BondedComplexes of Perylene with Water and Alcohols Density Functional Study of Geometry and Vibrational Spectra for the Isoelectronicand Cr(CO)6 Molecules Comparison between CASPT2 and DFT in the Study of Ni(C2H4)2 Complexes Antimony and Bismuth Oxide Clusters: Growth and Decomposition of New Magic NumberClusters Temperature Dependence of Hydrogen Atom Reaction with Nitrate and Nitrite Species inAqueous Solution The H + D2 → HD + D Reaction. Quasiclassical Trajectory Study of Cross Sections, RateConstants, and Kinetic Isotope Effect Transferability of the cis- and trans-Dichloroethylene Atomic Polar Tensors Solvation of Ca2+ in Water Studied by Born−Oppenheimer ab Initio QM/MM Dynamics Excited States and Reduced and Oxidized Forms of C76(D2) and C78(C2v‘) Matrix Effects on Spin−Lattice Relaxation in the Triplet State of Tryptophan Collision-Induced Dissociation of Cesium Iodide Cluster Ions. Scattering AngularDistribution and Excitation Mechanism Effects of Sequential Ligation of Molybdenum Cation by Chalcogenides on ElectronicStructure and Gas-Phase Reactivity Broken-Symmetry and Approximate Spin-Projected Potential Energy Curves for BimetallicSystems: A Density Functional Study of M2Cl9, M = CrIII, MoIII, WIII, and ReIV Electron Transfer Rates in Bridged Molecular Systems: A Phenomenological Approachto Relaxation Ab Initio Prediction of Vibrational Absorption and Circular Dichroism Spectra of ChiralNatural Products Using Density Functional Theory: Camphor and Fenchone Effect of Substitution on the Photoinduced Intramolecular Proton Transfer in Salicylic Acid Using Vector Correlation To Probe the Influence of Vibrational State Selection on thePhotodissociation Dynamics of HN3 Penning Ionization of Cyclic Ethers by Collision with He*(23S) Metastable Atoms A Comprehensive Study of the Reaction NH2 + NO → Products: Reaction RateCoefficients, Product Branching Fractions, and ab Initio Calculations Atom−Bond Electronegativity Equalization Method. 1. Calculation of the ChargeDistribution in Large Molecules High-Temperature Oxidation of Fullerene C60 by Oxygen Atoms Hybrid Density Functional Study of the p-Benzosemiquinone Anion Radical: The Influenceof Hydrogen Bonding on Geometry and Hyperfine Couplings

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