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Applications of Density Functional Theory to Biological and Bioinorganic Chemistry / / edited by Mihai V. Putz, D Michael P Mingos
| Applications of Density Functional Theory to Biological and Bioinorganic Chemistry / / edited by Mihai V. Putz, D Michael P Mingos |
| Edizione | [1st ed. 2013.] |
| Pubbl/distr/stampa | Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2013 |
| Descrizione fisica | 1 online resource (XII, 236 p. 107 illus., 41 illus. in color.) |
| Disciplina | 546 |
| Collana | Structure and Bonding |
| Soggetto topico |
Chemistry, Inorganic
Inorganic Chemistry |
| ISBN | 3-642-32750-8 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Recent progress in density functional methodology for biomolecular modeling / Dennis R. Salahub, Aurélien de la Lande, Annick Goursot, Rui Zhang, and Yue Zhang -- Density functional theory and molecular interactions: dispersion interactions / Eugene S. Kryachko -- Redox activation of small molecules at biological metal centers / Radu Silaghi-Dumitrescu -- The bond analysis techniques (ELF and maximum probability domains) application to a family of models relevant to bio-inorganic chemistry / Mauro Causà, Maddalena D'Amore, Carmine Garzillo, Franceso Gentile, and Andreas Savin -- Biological activity and toxicity: a conceptual DFT approach / Arindam Chakraborty, Sudip Pan, and Pratim K. Chattaraj -- DFT chemical reactivity driven by biological activity: applications for the toxicological fate of chlorinated PAHs / Mihai V. Putz, Ana-Maria Putz. |
| Record Nr. | UNINA-9910437820603321 |
| Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Quantum nanosystems : structure, properties, and interactions / / edited by Mihai V. Putz, PhD
| Quantum nanosystems : structure, properties, and interactions / / edited by Mihai V. Putz, PhD |
| Edizione | [First edition.] |
| Pubbl/distr/stampa | Waretown, NJ : , : Apple Academic Press, Inc. |
| Descrizione fisica | 1 online resource (512 p.) |
| Disciplina | 620.5 |
| Soggetto topico |
Nanotechnology
Quantum systems |
| ISBN |
0-429-15656-1
1-926895-90-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; About the Editor; Contents; List of Contributors; List of Abbreviations; List of Symbols; Preface; Foreword; Chapter 1: Nanouniverse Expanding Macrouniverse: From Elementary Particles to Dark Matter and Energy; Chapter 2: Inerton Field Effects in Nanosystems; Chapter 3: Non-Classical Properties of Classical Nanostructures; Chapter 4: Exotic Multi-Shell Nanostructures; Chapter 5: The Self-Assembly of Porphyrin Derivatives into 2D and 3D Architectures; Chapter 6: Recent Trends in Nano-Optomechanical Systems; Chapter 7: Magnetic Anisotropy in Case Studies
Chapter 8: Functional Supramolecular Systems Controlled by LightChapter 9: Novel Parallel Stacking Interactions of Aromatic Molecules; Chapter 10: Nanochips for Mass Spectrometry and Applications in Biomedical Research; Chapter 11: The "How-To" Guide to Computational Crystallography |
| Record Nr. | UNINA-9910787850403321 |
| Waretown, NJ : , : Apple Academic Press, Inc. | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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