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

A Conference Selection from Theoretical Chemistry Accounts

Manuel F. Ruiz-Lopez, Francisco J. Olivares del Valle (Herausgeber)

Buch | Hardcover

VI, 232 Seiten

2016 | 1st ed. 2016
Springer Berlin (Verlag)
978-3-662-48793-8 (ISBN)

Infos

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. The contributions cover research work on theory, methods and foundations, materials science, structure and chemical reactivity as well as environmental effects and modelling. Originally published in the journal Theoretical Chemistry Accounts, these outstanding papers are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal.

Autor

Manuel F. Ruiz-López, University of Lorraine, Campus Vandoeuvre-lès-Nancy, Nancy, FranceFrancisco J. Olivares del Valle, University of Badajoz, Badajoz, Spain

Inhalt

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.

Produkt-Details

• Erscheinungsdatum: 29.12.2016
• Reihe/Serie: Highlights in Theoretical Chemistry
• Zusatzinfo: VI, 232 p. 30 illus., 10 illus. in color.
• Verlagsort: Berlin
• Sprache: englisch
• Maße: 210 x 279 mm
• Gewicht: 828 g
• Themenwelt: Naturwissenschaften ► Chemie ► Physikalische Chemie
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik
• Schlagworte: AMOEBA Force Field Parameterization • Atomic/Molecular Structure and Spectra • Chemistry and Materials Science • Exchange Perturbation Theory • molecular dynamic magnetizability • Physical Chemistry • pressure-induced polymorphs • Self-Assembled Monolayers • theoretical and computational chemistry
• ISBN-10: 3-662-48793-4 / 3662487934
• ISBN-13: 978-3-662-48793-8 / 9783662487938
• Zustand: Neuware