Vincenzo Barone: A Festschrift from Theoretical Chemistry Accounts (Paperback, Softcover Repri)

From the Contents: The fate of branched and linear isomers in the rhodium-catalyzed hydroformylation of 3,4,4-trimethylpent-1-ene.- Thermodynamic and Stereochemical Aspects of the Polymerizability of Glycolide and Lactide.- Thermal and environmental effects on Oligothiophene low-energy singlet electronic excitations in dilute solution. A theoretical and experimental study.- Computational 19F NMR. 1. General Features.- Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: Pyrimidine as a test case.- A relativistic DFT study of magnetic exchange coupling in ketimide bimetallic uranium (IV) complexes.- Modelization of Vibrational spectra beyond the harmonic approximation from an iterative variation-perturbation scheme: the four conformers of the glycolaldehyde.- [Zn10(μ4-S)(μ3-S)6(Py)9(SO4)3] as a molecular model of ZnS surfaces: an experimental and theoretical study.- Deactivation of Ru-benzylidene Grubbs catalysts active in olefin metathesis.- Computational modelling of de novo synthesis of DibenzoFuran: oxidative pathways of Pyrene and BenzoDibenzoFuran.