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.
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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 LSSm Kate2 protein.- Preface to the ESPA-2012 special issue.Sobre el autor
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, FranceJuan J. Novoa (Corresponding author) Email: [email protected] Manuel F. Ruiz-Lopez (Corresponding author) Email: [email protected]
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Idioma Inglés ● Formato PDF ● Páginas 230 ● ISBN 9783642412721 ● Tamaño de archivo 9.6 MB ● Editor Juan J. Novoa & Manuel F. Ruiz López ● Editorial Springer Berlin ● Ciudad Heidelberg ● País DE ● Publicado 2013 ● Descargable 24 meses ● Divisa EUR ● ID 2831805 ● Protección de copia DRM social
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