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Computational Methods for the Analysis of Non-Covalent Interactions / / edited by Carlos Martín-Fernández, Stuart A. Macgregor
| Computational Methods for the Analysis of Non-Covalent Interactions / / edited by Carlos Martín-Fernández, Stuart A. Macgregor |
| Autore | Martín-Fernández Carlos |
| Edizione | [1st ed. 2025.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 |
| Descrizione fisica | 1 online resource (446 pages) |
| Disciplina | 542.85 |
| Altri autori (Persone) | MacgregorStuart A |
| Collana | Structure and Bonding |
| Soggetto topico |
Chemistry - Data processing
Quantum chemistry Coordination compounds Organometallic chemistry Chemistry, Inorganic Bioinorganic chemistry Computational Chemistry Quantum Chemistry Coordination Chemistry Organometallic Chemistry Main-Group Chemistry Bioinorganic Chemistry |
| ISBN | 9783032015433 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Interpreting Non Covalent Bonds with the Block Localized Wave Function (BLW) Method -- Local Energy Decomposition of Coupled Cluster Energies Principles and Applications -- Electron Density based Energy Decomposition Analysis from QM to QM/MM calculations -- GKS EDA method for intermolecular interactions in complex systems -- SAPT and many body dispersion: Intermolecular interactions at cubic scaling cost -- Survey of contemporary applications of Quantum Chemical Topology -- The Interpenetration Index and its applications in chemistry -- Exhibiting noncovalent interactions in dynamic environments using aIGM method. |
| Record Nr. | UNINA-9911035051403321 |
Martín-Fernández Carlos
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2025 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Computational Modelling of Molecular Nanomagnets / / edited by Gopalan Rajaraman
| Computational Modelling of Molecular Nanomagnets / / edited by Gopalan Rajaraman |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (507 pages) |
| Disciplina | 546.2242 |
| Altri autori (Persone) | RajaramanGopalan |
| Collana | Challenges and Advances in Computational Chemistry and Physics |
| Soggetto topico |
Coordination compounds
Magnetic materials Chemistry - Data processing Quantum theory Computer simulation Coordination Chemistry Magnetic Materials Computational Chemistry Quantum Simulations |
| ISBN | 3-031-31038-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Ab initio investigation of anisotropic magnetism and magnetization blocking in metal complexes -- Analytical derivations for the description of magnetic anisotropy in transition metal complexes -- Calculations of Magnetic Exchange in Multinuclear Compounds -- Exact diagonalization techniques for quantum spin systems -- Modeling magnetic properties of actinide complexes -- Spin-Phonon Relaxation in Magnetic Molecules: Theory, Predictions and Insights -- Ab initio Modelling of Lanthanide Based Molecular Magnets: Where to from Here? -- Molecular Magnets on Surfaces: in silico recipes for a successful marriage -- Theoretical Approaches for Electron Transport through Magnetic Molecules. |
| Record Nr. | UNINA-9910736988503321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Metal-Responsive Base Pair Switching of Ligand-type Uracil Nucleobases / / by Keita Mori
| Metal-Responsive Base Pair Switching of Ligand-type Uracil Nucleobases / / by Keita Mori |
| Autore | Mori Keita <1981, > |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (137 pages) |
| Disciplina | 572.864 |
| Collana | Springer Theses, Recognizing Outstanding Ph.D. Research |
| Soggetto topico |
Biomaterials
Nucleic acids Coordination compounds Nanotechnology Self-assembly (Chemistry) Nucleic Acid Coordination Chemistry Self-assembly |
| ISBN | 981-9994-00-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1. General introduction -- 2. Metal-responsive DNA strand displacement reactions driven by base pair switching of 5-hydroxyuracil nucleobases -- 3. Metal-dependent base pair switching of N,N,-dicarboxymethyl-5-aminouracil nucleosides -- 4. Metal-responsive DNA tweezers driven by base pair switching of 5-hydroxyuracil nucleobases -- 5. Conclusion and perspectives. |
| Record Nr. | UNINA-9910831014603321 |
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Mori Keita <1981, >
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| Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Principles of Inorganic Chemistry : Basics and Applications / / by Robert B. Jordan
| Principles of Inorganic Chemistry : Basics and Applications / / by Robert B. Jordan |
| Autore | Jordan Robert B. |
| Edizione | [1st ed. 2024.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2024 |
| Descrizione fisica | 1 online resource (XIX, 937 p. 608 illus., 272 illus. in color.) |
| Disciplina | 546 |
| Soggetto topico |
Chemistry, Inorganic
Coordination compounds Bioinorganic chemistry Science - Study and teaching Inorganic Chemistry Coordination Chemistry Bioinorganic Chemistry Science Education |
| ISBN |
9783031229268
3031229266 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Atoms and Electrons -- The Periodic Table -- Covalent Bonding Theories -- Energy -- Acids and Bases -- Reaction Types and Mechanisms -- The Solid State and Symmetry -- Introduction to Transition Metals -- The Transition Metals: Groups 3–12 -- Organometallic Chemistry of Transition Metals -- The Lanthanides -- Groups 1 & 2 -- Group 13 -- Group 14 -- Group 15 -- Group 16 -- Group 17 -- Group 18 -- Bioinorganic Chemistry -- Nanomaterials. |
| Record Nr. | UNINA-9910851983703321 |
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Jordan Robert B.
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| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2024 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Therapeutic Rhodium Complexes / / by Afzal Hussain, Mohamed F. Alajmi, Mushtaq Ahmad Lone, Waseem A. Wani
| Therapeutic Rhodium Complexes / / by Afzal Hussain, Mohamed F. Alajmi, Mushtaq Ahmad Lone, Waseem A. Wani |
| Autore | Hussain Afzal |
| Edizione | [1st ed. 2023.] |
| Pubbl/distr/stampa | Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2023 |
| Descrizione fisica | 1 online resource (xvii, 70 pages) : illustrations (some color) |
| Disciplina | 572.51 |
| Altri autori (Persone) |
AlajmiMohamed F
LoneMushtaq Ahmad WaniWaseem A |
| Collana | SpringerBriefs in Molecular Science |
| Soggetto topico |
Bioinorganic chemistry
Coordination compounds Pharmaceutical chemistry Microclusters Bioinorganic Chemistry Coordination Chemistry Medicinal Chemistry Atomic and Molecular Clusters |
| ISBN | 3-031-35631-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | Introduction: Metal Complexes as Therapeutic Agents -- Chemistry of Rhodium -- Therapeutic Potential of Rhodium Complexes -- Mechanism of Therapeutic Action of Rhodium Complexes -- Challenges and Future Outlooks of Research. |
| Record Nr. | UNINA-9910734868203321 |
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Hussain Afzal
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| Cham : , : Springer Nature Switzerland : , : Imprint : Springer, , 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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