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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_24/m/print http://hub.abes.fr/acs/periodical/jpcafh/1998/volume_102/issue_24/m/web
Date Copyrighted	1998
Rights	Copyright © 1998 American Chemical Society
issue	24
Rights Holder	American Chemical Society
is Is Part Of of	Reactivity of the Ozone−Ethane System Dual-Level Direct Dynamics Calculations of Deuterium and Carbon-13 Kinetic IsotopeEffects for the Reaction Cl + CH4 Vibrational Overtone Spectroscopy ofCycloheptatriene-d6 at the Third and FourthOvertone Regions Does Unrestricted Møller−Plesset Perturbation Theory for Low Spin Converge When theSystem Has a Triplet Ground State? Effect of Applied Hydrostatic Pressure on the Enantioselective Quenching of theLuminescence from rac-Tris(2,6-pyridinedicarboxylate)terbium(III) by ResolvedTris(1,10-phenanthroline)ruthenium(II) in Water and Methanol Synchronization of Chemical Systems Using External Forcing Binding Energies of Proton-Bound Dimers of Imidazole and n-Acetylalanine Methyl EsterObtained by Blackbody Infrared Radiative Dissociation Elementary Steps of Lithium Ion Transport in PEO via Quantum Mechanical Calculations Thermal Rate Constant for CN + H2/D2 → HCN/DCN + H/D Reaction from T = 293 to380 K Infrared Vibrational Intensities, Polar Tensors, and Core Electron Energies of the GroupIV Hydrides and the Fluorosilanes Ab Initio Study of SO2 + H2 O Electron Spin−Echo Envelope Modulation Spectrum of Azurin at X-Band Structural Characterization of Aromatic−Aromatic Complexes by Rotational CoherenceSpectroscopy Kinetic Studies of OH Reactions with a Series of Ketones Two-Parameter Stochastic Resonance in a Model of the PhotosensitiveBelousov−Zhabotinsky Reaction in a Flow System Photophysical Properties of C60H18 and C60H36: A Laser Flash Photolysis and PulseRadiolysis Study Early Events in Decatungstate Photocatalyzed Oxidations: A Nanosecond Laser TransientAbsorbance Reinvestigation Conformations of 2,4-Diphenylpentane: A Quantum Chemistry and Gas-Phase MolecularDynamics Simulation Study Conformational Behavior of α-Alanine. Matrix-Isolation Infrared and Theoretical DFT andab Initio Study Demystifying an Electrochemical Oscillator Calculation of Reactive Cross Sections and Microcanonical Rates from Kinetic andThermochemical Data Molecular versus Dissociative Chemisorption of Nitric Oxide on Co2 and Co3 (Neutral andCationic). A Density Functional Study Red Edge Photophysics of Ethanolic Rhodamine 101 and the Observation of Laser Coolingin the Condensed Phase Representation of Intermolecular Potential Functions by Neural Networks Comment on “Contribution of the Shape Factorσ(r⃗) to Atomic and Molecular Electronegativities” Azaborinines: Structures, Vibrational Frequencies, and Polarizabilities Scanning Tunneling Microscopy of Ring-Shape Endohedral Metallofullerene (Nd@C82)6,12Clusters One-Electron Reduction of3,3,6,6-Tetramethyl-3,4,6,7,9,10-hexahydro-(1,8)-(2H,5H)-acridinedione: A Pulse RadiolysisStudy Accurate Heats of Formation for SFn, SFn+, and SFn- for n = 1−6 Americium Organometallic Ions Produced by Laser Ablation of AmO2 in Polyimide Spectroscopy of Hydrothermal Reactions. 9. IR and Raman Spectroscopy of Hydrolysisand Self-Reaction of Cyanamide and Dicyandiamide at 130−270 °C and 275 bar Role of Cu+ Association on the Formamide → Formamidic Acid → (Aminohydroxy)carbeneIsomerizations in the Gas Phase Benzene/tert-Butyl Alcohol Interactions. 1. A Theoretical and Experimental Study Intermolecular Vibrations of Phenol(H2O)2-5 and Phenol(D2O)2-5-d1 Studied by UVDouble-Resonance Spectroscopy and ab Initio Theory Ab Initio Investigation of Gadolinium Complexes with Polyamino Carboxylate Ligands andForce Fields Parametrization of Metal−Ligand Interactions Potential Energy Surfaces for the Bis-Silylation of Ethylene Effect of Ring Distortion on the Acid Hydrolysis of 2-Methylsulfanyloxane A Diode Laser Study of the Product Branching Ratios of the CH + NO2 Reaction Theoretical and Experimental Study on the BondDissociation Energies of Al(Methane)+, Al(Acetylene)+,Al(Ethene)+, and Al(Ethane)+ Absolute Reactive Cross Section for H Atom Formation in the Reaction of TranslationallyEnergetic O(1D) Atoms with Methane Proton Affinity of Dimethyl Sulfoxide and Relative Stabilities of C2H6OS Molecules andC2H7OS+ Ions. A Comparative G2(MP2) ab Initio and Density Functional Theory Study A Generalized Hybrid Orbital (GHO) Method for the Treatment of Boundary Atoms inCombined QM/MM Calculations Theoretical Investigations of Zintl Anions Analogous to Ozone Quantum Dissipative Dynamics: A Numerically Exact Methodology Standard Chemical Thermodynamic Properties of Multichloro Alkanes and Alkenes: AModified Group Additivity Scheme Protonizable Water Model for Quantum Dynamical Simulations Theoretical Study of the NH2 + C2H2 Reaction Formation and Structures of Transition Metal−C60 Clusters

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