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Advances in quantum chemistry Volume 58, Theory of confined quantum systems. Part two /
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. * Publishes art...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | , , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Oxford :
Academic Press,
2009.
|
| Colección: | Advances in Quantum Chemistry ;
58 |
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 082 | 0 | 4 | |a 541.383082 |
| 245 | 0 | 0 | |a Advances in quantum chemistry |n Volume 58, |p Theory of confined quantum systems. |n Part two / |c editors, John R. Sabin, Erkki Br�andas ; special editor, Salvador A. Cruz. |
| 260 | |a Oxford : |b Academic Press, |c 2009. | ||
| 300 | |a 1 online resource (x, 297 pages) : |b illustrations. | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 490 | 0 | |a Advances in Quantum Chemistry ; |v 58 | |
| 504 | |a Includes bibliographical references and index. | ||
| 588 | 0 | |a Print version record. | |
| 520 | |a Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. * Publishes articles, invited reviews and proceedings of major international conferences and workshops * Written by leading international researchers in quantum and theoretical chemistry * Highlights important interdisciplinary developments. | ||
| 505 | 0 | |a Front cover; Half title page; Editorial board; Title page; Copyright page; Contents; Preface; Contributors; Chapter 1. Modeling Pressure Effects on the Electronic Properties of Ca, Sr, and Ba by the Confined Atoms Model; 1. Introduction; 2. Methodology; 3. Results and Discussion; 4. Conclusions; Acknowledgments; References; Chapter 2. Photoionization of Atoms Encaged in Spherical Fullerenes; 1. Introduction; 2. Modeling Doped Fullerenes; 3. Photoionization Theory of Encaged Atoms; 4. Results: The Frozen-cage Model; 5. Results: The Dynamical-cage Model; 6. Relativistic Effects; 7. Conclusion | |
| 505 | 8 | |a AcknowledgementsReferences; Chapter 3. DFT Study of Molecules Confined Inside Fullerene and Fullerene-like Cages; 1. Introduction; 2. Computational Details; 3. Tetrahedral Guests Inside Tetragonal Cages; 4. Linear Molecules Inside the Prolate Spheroidal C70 (D5h) Cage; 5. Planar C6 H6 and B3 N3 H6 Molecules Inside the Oblate Spheroidal C84 (D6h) Cage; 6. The ``Matreshka-Like'' Clusters L @ A l12 A l20 O30 (Ih) and L @ H e12 @ C60 (Ih); 7. Atoms Confined Inside the Supertight [H e12] Icosahedral ``Box''; Acknowledgements; References | |
| 505 | 8 | |a Chapter 4. Spectroscopy of Confined Atomic Systems: Effect of Plasma1. Introduction; 2. Experimental Techniques; 3. Theoretical Development; 4. Interpretation of Spectral Properties and Atomic Data; 5. Spectra of Atoms Under Liquid Helium; 6. Summary and Future Directions; Acknowledgements; References; Chapter 5. The Energy Level Structure of Low-dimensional Multi-electron Quantum Dots; 1. Introduction; 2. Computational Methodology; 3. Quasi-one-dimensional Quantum Dots; 4. Quasi-two-dimensional Quantum Dots; 5. Summary; Acknowledgements; References | |
| 505 | 8 | |a Chapter 6. Engineering Quantum Confined Silicon Nanostructures: Ab-Initio Study of the Structural, Electronic and Optical Properties1. Introduction; 2. Theoretical Methods; 3. Zero-dimensional Systems; 4. One-dimensional Systems; 5. Two-dimensional Systems; 6. Conclusions; Acknowledgments; References; Subject Index | |
| 546 | |a English. | ||
| 650 | 0 | |a Quantum chemistry. | |
| 650 | 0 | |a Chemistry, Physical and theoretical. | |
| 650 | 2 | |a Chemistry, Physical |0 (DNLM)D002627 | |
| 650 | 6 | |a Chimie quantique. |0 (CaQQLa)201-0045730 | |
| 650 | 6 | |a Chimie physique et th�eorique. |0 (CaQQLa)201-0000374 | |
| 650 | 7 | |a physical chemistry. |2 aat |0 (CStmoGRI)aat300224431 | |
| 650 | 7 | |a Chemistry, Physical and theoretical. |2 fast |0 (OCoLC)fst00853521 | |
| 650 | 7 | |a Quantum chemistry. |2 fast |0 (OCoLC)fst01085086 | |
| 700 | 1 | |a Sabin, John R. | |
| 700 | 1 | |a Br�andas, Erkki. | |
| 700 | 1 | |a Cruz, Salvador A. | |
| 776 | 0 | |z 0123750741 | |
| 856 | 4 | 0 | |u https://sciencedirect.uam.elogim.com/science/book/9780123750747 |z Texto completo |