8th Congress on Electronic Structure: Principles and Applications (ESPA 2012)
Springer Berlin (Verlag)
978-3-642-41271-4 (ISBN)
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: juan.novoa@ub.edu Manuel F. Ruiz-Lopez (Corresponding author) Email: Manuel.Ruiz@univ-lorraine.fr
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.
| Erscheint lt. Verlag | 29.10.2013 |
|---|---|
| Reihe/Serie | Highlights in Theoretical Chemistry |
| Zusatzinfo | VI, 230 p. 137 illus., 20 illus. in color. |
| Verlagsort | Berlin |
| Sprache | englisch |
| Maße | 210 x 279 mm |
| Gewicht | 835 g |
| Themenwelt | Naturwissenschaften ► Chemie ► Physikalische Chemie |
| Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik | |
| Technik ► Maschinenbau | |
| Schlagworte | density functional theory • Hybrid DFT Functional • Nonresonant Dynamic Stark Effect • Pure DFT Functional • Time-dependent DFT Studies • Time-dependent Molecular Dynamics Studies |
| ISBN-10 | 3-642-41271-8 / 3642412718 |
| ISBN-13 | 978-3-642-41271-4 / 9783642412714 |
| Zustand | Neuware |
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