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| Link zu diesem Datensatz | https://d-nb.info/1331434777 |
| Art des Inhalts | Konferenzschrift |
| Titel | Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology : Selected Proceedings of QSCP-XXV Conference (Toruń, Poland, June 2022) / edited by Ireneusz Grabowski, Karolina Słowik, Jean Maruani, Erkki J. Brändas |
| Person(en) |
Grabowski, Ireneusz (Herausgeber) Słowik, Karolina (Herausgeber) Maruani, Jean (Herausgeber) Brändas, Erkki J. (Herausgeber) |
| Organisation(en) | SpringerLink (Online service) (Sonstige) |
| Ausgabe | 1st ed. 2024 |
| Verlag | Cham : Springer Nature Switzerland, Imprint: Springer |
| Zeitliche Einordnung | Erscheinungsdatum: 2024 |
| Umfang/Format | Online-Ressource, XVIII, 282 p. 75 illus., 64 illus. in color. : online resource. |
| Andere Ausgabe(n) |
Printed edition:: ISBN: 978-3-031-52077-8 Printed edition:: ISBN: 978-3-031-52079-2 Printed edition:: ISBN: 978-3-031-52080-8 |
| Inhalt | Part I. General Theory -- Landauer’s Principle and Thermodynamics -- On the Majorana Solution to the Thomas-Fermi Equation -- Spherically Averaged Densities as Basic DFT Variables -- Linear-Expansion Shooting Techniques Based on Minimization of Intra-Iteration Errors -- Part II. Atomic Systems -- Erfonium: A Hooke Atom with Soft Interaction Potential -- Spectroscopy of Radiative Decay Processes in Atomic Systems in a Black-body Radiation Field -- Relativistic Many-Body Perturbation Theory Approach to Computing Spectra of Complex Atomic Systems: Spectral Data for Ne-like Ions -- Relativistic Quantum Chemistry and Spectroscopy of Pionic Atomic Systems: Hyperfine Structure -- Part III. Molecular Systems -- Low-Cost Generation of Optimal Molecular Orbitals for Multi-Reference CI Expansion: Natural Orbitals versus Rényi Entropy-Minimized Orbitals Provided by the Density-Matrix Renormalization Group -- Formally Exact Many-Body Perturbation Theory with Optimized Zeroth Approximation in Calculations of Spectral Parameters of Diatomic Molecules -- Complexes of Counterion-Trapped Molecules: Extreme Polarity, Rich IR-Activity, and Internal-Field Moderated Transformations -- Designing an Iron-Based Bis(pyridyl)borate Complex Catalyst for Ammonia-Borane Dehydrogenation using Density Functional Theory -- Theoretical Investigation of Cl2, ClO and Cl2O Molecules -- Part IV. Biochemistry and Biophysics -- An Improved Fragmentation Modeling Aminoacids Under Ionizing Radiation. I. Threonine -- Computational Investigation of the Influence of the Acyl Group on the Reducing Abilities of Acylphloroglucinols -- Integrated in-Silico Drug Modeling for Viral Proteins |
| Persistent Identifier |
URN: urn:nbn:de:101:1-2406020414395.704855761464 DOI: 10.1007/978-3-031-52078-5 |
| URL | https://doi.org/10.1007/978-3-031-52078-5 |
| ISBN/Einband/Preis | 978-3-031-52078-5 |
| Sprache(n) | Englisch (eng) |
| Beziehungen | Progress in Theoretical Chemistry and Physics ; 34 |
| DDC-Notation | 541 (maschinell ermittelte DDC-Kurznotation) |
| Sachgruppe(n) | 540 Chemie |
| Online-Zugriff | Archivobjekt öffnen |
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