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8th Congress on Electronic Structure: Principles and Applications (ESPA 2012) [electronic resource] : A Conference Selection from Theoretical Chemistry Accounts / edited by Juan J. Novoa, Manuel F. Ruiz L�opez.

Contributor(s): Novoa, Juan J [editor.] | Ruiz L�opez, Manuel F [editor.] | SpringerLink (Online service).
Material type: materialTypeLabelBookSeries: Highlights in Theoretical Chemistry: 5Publisher: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2014Description: VI, 230 p. 137 illus., 20 illus. in color. online resource.Content type: text Media type: computer Carrier type: online resourceISBN: 9783642412721.Subject(s): Chemistry | Chemistry, Physical and theoretical | Atoms | Physics | Materials science | Chemistry | Theoretical and Computational Chemistry | Atomic, Molecular, Optical and Plasma Physics | Characterization and Evaluation of MaterialsAdditional physical formats: Printed edition:: No titleDDC classification: 541.2 Online resources: Click here to access online
Contents:
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.
In: Springer eBooksSummary: 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 LSSmKate2 protein -- Preface to the ESPA-2012 special issue.

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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