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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/2008/volume_112
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/2008/volume_112/issue_25/m/print http://hub.abes.fr/acs/periodical/jpcafh/2008/volume_112/issue_25/m/web
Date Copyrighted	2008
Rights	Copyright © 2008 American Chemical Society
issue	25
Rights Holder	American Chemical Society
is Is Part Of of	Efficient Computational Methods for Accurately Predicting Reduction Potentials of Organic Molecules Solvation of Propylene Oxide in Water: Vibrational Circular Dichroism, Optical Rotation, and Computer Simulation Studies Adiabatic States Derived from a Spin-Coupled Diabatic Transformation: Semiclassical Trajectory Study of Photodissociation of HBr and the Construction of Potential Curves for LiBr+ Time-Dependent Density Functional Theory As a Tool for Isomer Assignments of Hydrogen-Bonded Solute·Solvent Clusters DFT Study on Isomerization and Decomposition of Cuprous Dialkyldithiophosphate and Its Reaction with Alkylperoxy Radical Probing the Molecular and Electronic Structure of Capsaicin: A Spectroscopic and Quantum Mechanical Study On the Photophysics of Polyenes. 1. Bathochromic Shifts in Their 1Ag → 1Bu Electronic Transitions Caused by the Polarizability of the Medium Infrared Matrix Isolation Study of the Thermal and Photochemical Reactions of Ozone with Dimethylzinc Matrix Isolation Infrared Spectroscopic and Theoretical Study of the Hydrolysis of Boron Dioxide in Solid Argon On the Accuracy of Computed Excited-State Dipole Moments A Two-Dimensional Wavepacket Study of the Nonadiabatic Dynamics of CH2BrCl Photophysics of (1-Butyl-4-(1H-inden-1-ylidene)-1,4-dihydropyridine (BIDP): An Experimental Test for Conical Intersections Conformational Study of Eugenol by Density Functional Theory Method and Matrix-Isolation Infrared Spectroscopy Theoretical Investigation of the Fe+-Catalyzed Oxidation of Acetylene by N2O Quantitative Distinction between Competing Intramolecular Bond Twisting and Solvent Relaxation Dynamics: An Ultrafast Study Separation and Complete Analyses of the Overlapped and Unresolved 1H NMR Spectra of Enantiomers by Spin Selected Correlation Experiments Enthalpies of Formation of Hydrocarbons by Hydrogen Atom Counting. Theoretical Implications. Stochastic Search of the Quantum Conformational Space of Small Lithium and Bimetallic Lithium−Sodium Clusters Molecular Dynamics Simulations of Perylene and Tetracene Librations: Comparison With Femtosecond Upconversion Data Threshold Photoionization and Density Functional Theory Studies of the Niobium Carbide Clusters Nb3Cn (n = 1−4) and Nb4Cn (n = 1−6) Mass Spectrometry and Photoelectron Spectroscopy of o-, m-, and p-Terphenyl Cluster Anions: The Effect of Molecular Shape on Molecular Assembly and Ion Core Character Fluorescence Spectroscopy and Amplified Spontaneous Emission (ASE) of Phenylimidazoles: Predicted Vibronic Coupling Along the Excited-State Intramolecular Proton Transfer in 2-(2′-Hydroxyphenyl)imidazoles Prediction of the Equilibrium Structures and Photomagnetic Properties of the Prussian Blue Analogue RbMn[Fe(CN)6] by Density Functional Theory TPEPICO Spectroscopy of Vinyl Chloride and Vinyl Iodide: Neutral and Ionic Heats of Formation and Bond Energies High-Stability Hydrogenated Silicon−Carbon Clusters: A Full Study of Si2C2H2 in Comparison to Si2C2, C2B2H4, And Other Similar Species Time-Resolved Cavity Ringdown Measurements and Kinetic Modeling of the Pressure Dependences of the Recombination Reactions of SiH2 with the Alkenes C2H4, C3H6, and t-C4H8

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