Overview

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.

Full Product Details

Author:   Nino Russo ,  Nadia Rega ,  Carlo Adamo
Publisher:   Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Imprint:   Springer-Verlag Berlin and Heidelberg GmbH & Co. K
Edition:   Softcover reprint of the original 1st ed. 2013
Volume:   2
Weight:   8.942kg
ISBN:  

9783662523285

ISBN 10:   3662523280
Pages:   359
Publication Date:   23 August 2016
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Paperback
Publisher's Status:   Active
Availability:   Manufactured on demand  
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Table of Contents

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.

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