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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2001/volume_105
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2001/volume_105/issue_22/m/print http://hub.abes.fr/acs/periodical/jpcafh/2001/volume_105/issue_22/m/web
Date Copyrighted	2001
Rights	Copyright © 2001 American Chemical Society
issue	22
Rights Holder	American Chemical Society
is Is Part Of of	Ab Initio Computation of the Duschinsky Mixing of Vibrations and Nonlinear Effects Products of the Chlorine-Atom- and Hydroxyl-Radical-Initiated Oxidation of CH3CN Polarizabilities (α) of Dendritic Molecular Aggregates: Visualization ofIntermolecular-Interaction and Damping Effects on α Separation of Dielectric Nonideality from Preferential Solvation in Binary Solvent Systems: An Experimental Examination of the Relationship between Solvatochromism and LocalSolvent Composition around a Dipolar Solute Theoretical Insight into the Interactions of TMA-Benzene and TMA-Pyrrole with B3LYPDensity-Functional Theory (DFT) and ab Initio Second Order Møller−Plesset PerturbationTheory (MP2) Calculations Molecular and Electronic Structure of C5H5N−SO3: Correlation of Ground State PhysicalProperties with Orbital Energy Gaps in Partially Bound Lewis Acid−Base Complexes Comments on “Anomalous Dielectric Relaxationof Aqueous Protein Solutions” by Nilashis Nandiand Biman Bagchi (J. Phys. Chem. A 1998, 102,8217) Density Functional Studies on the Lone Pair Effect of the Trivalent Group (V) Elements: I.Electronic Structure, Vibronic Coupling, and Chemical Criteria for the Occurrence of LonePair Distortions in AX3 Molecules (A=N to Bi; X=H, and F to I) Photoactivation of CO in Ti Silicalite Molecular Sieve Evaluating the Activation Barriers for Transition Metal N2O Reactions Calculation of the EPR g-Tensors of High-Spin Radicals with Density Functional Theory Structure, Torsional Potentials, and Thermodynamic Properties ΔH°f298, S°298, and Cp(T) ofChloro-Dimethyl Ethers: CH2ClOCH3, CHCl2OCH3, and CCl3OCH3. Density Functionaland ab Initio Calculations Large Electron Transfer Rate Effects from the Duschinsky Mixing of Vibrations Common Marcus Type Dependence of the Charge Transfer Induced Processes in theSensitization and Quenching of Singlet Oxygen by Naphthalene Derivatives Gas-Phase Reactivity of Ni+ with Glycine Kinetics of the O + ClO Reaction Calculation of Optical Rotation Using Density Functional Theory Identification for IPR Isomers of Fullerene C82 by Theoretical 13C NMR Spectra Calculatedby Density Functional Theory A Gas-Phase Study of the Kinetics of Formation of Fe(CO)3DMB, Fe(CO)3(DMB)2, andFe(CO)4DMB: The Bond Dissociation Enthalpy for Fe(CO)3(DMB)2 (DMB =3,3-dimethyl-1-butene) Nature of the Fluorescent State of N−Arylcarbazole Derivatives as Derived from DirectlyMeasured Values of the Excited State Dipole Moment Fluorescence Spectroscopy of All-trans-anhydrorhodovibrin and Spirilloxanthin: Detectionof the 1Bu- Fluorescence Kinetic Study of the Reactions of Chlorine Atoms and Cl2•- Radical Anions in AqueousSolutions. II. Toluene, Benzoic Acid, and Chlorobenzene B13+ Is Highly Aromatic Temperature Dependence and Deuterium Kinetic Isotope Effects in the CH (CD) + C2H4(C2D4) Reaction between 295 and 726 K Reply to the Comment by S. Boresch and O.Steinhauser on the Letter by N. Nandi and B.Bagchi Entitled “Anomalous Dielectric Relaxationof Aqueous Protein Solution” Relating Environmental Effects and Structures, IR, and NMR Properties ofHydrogen-Bonded Complexes: ClH:Pyridine

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