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Vincenzo Barone: A Festschrift from Theoretical Chemistry Accounts 2013 ed. [Hardback]

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  • Formāts: Hardback, 359 pages, height x width: 279x210 mm, 113 Illustrations, color; 112 Illustrations, black and white; VII, 359 p. 225 illus., 113 illus. in color., 1 Hardback
  • Sērija : Highlights in Theoretical Chemistry 2
  • Izdošanas datums: 04-Apr-2013
  • Izdevniecība: Springer-Verlag Berlin and Heidelberg GmbH & Co. K
  • ISBN-10: 3642344615
  • ISBN-13: 9783642344619
  • Hardback
  • Cena: 136,16 €*
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  • Formāts: Hardback, 359 pages, height x width: 279x210 mm, 113 Illustrations, color; 112 Illustrations, black and white; VII, 359 p. 225 illus., 113 illus. in color., 1 Hardback
  • Sērija : Highlights in Theoretical Chemistry 2
  • Izdošanas datums: 04-Apr-2013
  • Izdevniecība: Springer-Verlag Berlin and Heidelberg GmbH & Co. K
  • ISBN-10: 3642344615
  • ISBN-13: 9783642344619
Suitable for all researchers in theoretical chemistry, this volume is of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the "Theoretical Chemistry Accounts".

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.
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.