Del 0 - Highlights in Theoretical Chemistry

Vincenzo Barone

A Festschrift from Theoretical Chemistry Accounts

Häftad, Engelska, 2016

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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. It also provides valuable content for all researchers in theoretical chemistry.

Produktinformation

Utgivningsdatum2016-08-23
Mått210 x 279 x 20 mm
Vikt896 g
FormatHäftad
SpråkEngelska
SerieHighlights in Theoretical Chemistry
Antal sidor359
FörlagSpringer-Verlag Berlin and Heidelberg GmbH & Co. KG
ISBN9783662523285

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.