Del i serien Highlights in Theoretical Chemistry

Vincenzo Barone

A Festschrift from Theoretical Chemistry Accounts

Inbunden, Engelska, 2013

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In this Festschrift dedicated to the 60th birthday of V. Barone, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume is of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.

Produktinformation

Utgivningsdatum2013-04-04
Mått210 x 279 x 25 mm
Vikt1 150 g
FormatInbunden
SpråkEngelska
SerieHighlights in Theoretical Chemistry
Antal sidor359
Upplaga2013
FörlagSpringer-Verlag Berlin and Heidelberg GmbH & Co. KG
ISBN9783642344619

Tillhör följande kategorier

Fysik inom Naturvetenskap och teknik
Fysikalisk kemi inom Naturvetenskap och teknik

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.