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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2006/volume_110
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2006/volume_110/issue_41/m/print http://hub.abes.fr/acs/periodical/jpcafh/2006/volume_110/issue_41/m/web
Date Copyrighted	2006
Rights	Copyright © 2006 American Chemical Society
issue	41
Rights Holder	American Chemical Society
is Is Part Of of	The Singlet−Triplet Gap in Trimethylenmethane and the Ring-Opening ofMethylenecyclopropane: A Multireference Brillouin−Wigner Coupled Cluster Study Proton Transfers Induced by Lead(II) in a Uracil Nucleobase: A Study Based on QuantumChemistry Calculations The Kinetics of Thermal Decomposition of 1-Butyl-3-methylimidazoliumHexafluorophosphate Preferential Site of Attack on Fullerene Cations: Frontier Orbitals and Rate Coefficients Decomposition and Isomerization of 1,2-Benzisoxazole: Single-Pulse Shock-TubeExperiments, Quantum Chemical and Transition-State Theory Calculations Respective Contributions of Polar vs Enthalpy Effects in the Addition/Fragmentation ofMercaptobenzoxazole-Derived Thiyl Radicals and Analogues to Double Bonds Activation of Electron-Transfer Reduction of Oxygen by Hydrogen Bond Formation ofSuperoxide Anion with Ammonium Ion Much Improved Upper Limit for the Rate Constant for the Reaction of O2+ with N2 Structure, Bonding, and Lowest Energy Transitions in Unsymmetrical Squaraines:A Computational Study Theoretical Study of Hydrogen Bonding Interaction in Nitroxyl (HNO) Dimer: Interrelationship of the Two N−H···O Blue-Shifting Hydrogen Bonds On the Electronic Origin of Strain Energy: QTAIM Study of Perfluorocycloalkanes Vibrational Spectra and Structures of H2O−NO, HDO−NO, and D2O−NO Complexes. AnIR Matrix Isolation and DFT Study Estimation of Electronic Coupling for Intermolecular Electron Transfer fromCross-Reaction Data A New Perspective in the Lewis Acid Catalyzed Ring Opening of Epoxides. TheoreticalStudy of Some Complexes of Methanol, Acetic Acid, Dimethyl Ether, Diethyl Ether, andEthylene Oxide with Boron Trifluoride Solvent Effects on the Photodissociation of Formic Acid: A Theoretical Study Generation of Gas-Phase VO2+, VOOH+, and VO2+−Nitrile Complex Ions by ElectrosprayIonization and Collision-Induced Dissociation Direct Dynamics Study on the Reaction of N2H4 with F Atom: A Hydrogen AbstractionReaction? Diffusion Kinetics for Methanol in Polycrystalline Ice Experimental and Molecular Dynamics Studies of Dysprosium(III) Salt Solutions for aBetter Representation of the Microscopic Features Used within the Binding Mean SphericalApproximation Theory Molecular Motion in Crystalline Naphthalene: Analysis of Multi-Temperature X-Ray andNeutron Diffraction Data Structure and Stability of Networked Metallofullerenes of the Transition Metals Absorption Cross Sections of Formaldehyde at Wavelengths from 300 to 340 nm at 294 and245 K

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