Novoa / Ruiz López 8th Congress on Electronic Structure: Principles and Applications (ESPA 2012)

A Conference Selection from Theoretical Chemistry Accounts
2014
ISBN: 978-3-642-41272-1
Verlag: Springer
Format: PDF
Kopierschutz: 1 - PDF Watermark

E-Book, Englisch, Band 5, 230 Seiten, eBook

Reihe: Highlights in Theoretical Chemistry

This volume collects research findings presented at the 8th Edition of the Electronic Structure: Principles and Applications (ESPA-2012) International Conference, held in Barcelona, Spain on June 26-29, 2012. The contributions cover research work on methods and fundamentals of theoretical chemistry, chemical reactivity, bimolecular modeling, and materials science. 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.

Zielgruppe

Research

Autoren/Hrsg.

Novoa, Juan J.

Ruiz López, Manuel F.

Inhaltsverzeichnis

From the Contents: Analysis of the origin of lateral interactions in the adsorption of small organic molecules on oxide surfaces.- First-principles study of structure and stability in Si–C–O-based materials.- A time-dependent DFT/molecular dynamics study of the proton-wire responsible for the red fluorescence in the LSSmKate2 protein.- Preface to the ESPA-2012 special issue.

Über Autor(innen)

Juan J. Novoa1 and Manuel F. Ruiz-Lopez2 (1)Departament de Química Física & IQTCUB, Facultat de Química, Universitat de Barcelona, Av. Diagonal 645, Barcelona, 08028, Spain (2)SRSMC, Theoretical Chemistry and Biochemistry Group, University of Lorraine, CNRS, 54506 Vandoeuvre-les-Nancy, France Juan J. Novoa (Corresponding author) Email: [e-mail] Manuel F. Ruiz-Lopez (Corresponding author) Email: [e-mail]