9th Congress on Electronic Structure: Principles and Applications (ESPA 2014)

A Conference Selection from Theoretical Chemistry Accounts

Häftad, Engelska, 2018

AvManuel F. Ruiz-Lopez,Francisco J. Olivares del Valle,Francisco J. Olivares Del Valle

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This volume collects research findings presented at the 9th Edition of the Electronic Structure: Principles and Applications (ESPA-2014) International Conference, held in Badajoz, Spain, on July 2–4, 2014.

Produktinformation

Utgivningsdatum2018-04-25
Mått210 x 279 x 14 mm
Vikt596 g
FormatHäftad
SpråkEngelska
SerieHighlights in Theoretical Chemistry
Antal sidor232
FörlagSpringer-Verlag Berlin and Heidelberg GmbH & Co. KG
ISBN9783662569566

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Fysik inom Naturvetenskap och teknik
Fysikalisk kemi inom Naturvetenskap och teknik

From the contents: Preface to the ESPA-2014 special issue.-A local topological view of pressure-induced polymorphs in SiOâ.-Theoretical analysis of vibrational modes in uranyl aquo chloro complexes.-On the definition of molecular dynamic magnetizability.-AMOEBA Force Field Parameterization of the Azabenzenes.-Towards (Car)Borane-based Molecular Magnets.-Solvation effects on electronic polarization and reactivity indices at the air-water interface: insights from a theoretical study of cyanophenols.