Advances in quantum systems in chemistry, physics, and biology : Selected proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018)

Advances in quantum systems in chemistry, physics, and biology : Selected proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018) / Liliana Mammino, Davide Ceresoli, Jean Maruani, Erkki Brändas, editors.

This edited, multi-author book gathers selected, peer-reviewed contributions based on papers presented at the 23rd International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXIII), held in Mopani Camp, The Kruger National Park, South Africa, in September 2018. The content is...

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Bibliographic Details
Corporate Author: International Workshop on Quantum Systems in Chemistry and Physics Kruger National Park, South Africa
Other Authors: Mammino, Liliana, Ceresoli, Davide, Maruani, Jean, 1937-, Brändas, Erkki
Format: eBook
Language:English
Published: Cham : Springer, 2020.
Series:Progress in theoretical chemistry and physics ; v. 32.
Subjects:
Quantum chemistry > Congresses.
Quantum theory > Congresses.
Quantum chemistry
Quantum theory
proceedings (reports)
Conference papers and proceedings
Conference papers and proceedings.
Actes de congrès.
Online Access:Click for online access
Table of Contents:
  • Part 1: Exotic Atomic Systems
  • Chapter 1. Advanced Relativistic Energy Approach in the Spectroscopy of Auto-ionization States of Multi-electron Atomic Systems (Alexander V. Glushkov)
  • Chapter 2. Relativistic Quantum Chemistry and Spectroscopy of Kaonic Atomic Systems with Accounting for Radiative and Strong Interaction Effects(O. Yu. Khetselius, V.B. Ternovsky, Y.V. Dubrovskaya, I.N. Serga, and A.A. Svinarenko)
  • Chapter 3. Spectroscopy of Rydberg Atomic Systems in a Black-Body Radiation Field (Valentin B. Ternovsky, Alexander V. Glushkov, Anna A. Kuznetsova, and Andrey V. Tsudik)
  • Chapter 4. Hyperfine and Electroweak Interactions in Heavy Finite Fermi Systems and Parity Non-conservation Effect(Olga Yu. Khetselius, Alexander V. Glushkov, Eugeny Ternovsky, Vasily V. Buyadzhi, and Aleksii L. Mykhailov)
  • Part 2: Clusters and Molecules Interactions
  • Chapter 5. Quantum Study of Helium Clusters Doped with Electronically Excited Li, Na, K and Rb Atoms (David Dell'Angelo).
  • Chapter 6. A Quantum Chemical Approach for the Characterization of the Interaction Potential of Propylene Oxide with Rare-Gas Atoms (He, Ne, Ar)(Partricia R.P. Barreto, Ana Claudia P.S. Cruz, Henrique O. Euclides, Alessandra F. Albernaz, Federico Palazzetti, and Fernando Pirani)
  • Chapter 7. A Theoretical Study on the Reaction between Chloroacetic Acid and Thiourea(Mwadham M. Kabanda and Kgalaletso P. Otukile)
  • Chapter 8. Density Functional Theory Studies of Ruthenium (N3) Dye Adsorbed on a TiO2 Brookite Nanocluster for Application to Dye Sensitized Solar Cells (I.F. Elegbeleye, N.E. Maluta, and R.R. Maphanga)
  • Part 3: Biochemistry and Biophysics
  • Chapter 9. Complexes of Furonewguinone-B with a Cu2+ Ion. A DFT Study (Liliana Mammino)
  • Chapter 10. Computational Study of Shuangancistrotectorine-A: A Naphthyliso-quinoline Alkaloid with Antimalarial Activity(Mireille Bilonda and Liliana Mammino)
  • Chapter 11. Ab initio and DFT Computational Study of Myristinin-A and a Structurally Related Molecule(Neani Tshilande and Liliana Mammino)
  • Chapter 12. Current Problems in Computer Simulation of Variability of the Three-Dimensional Structure of DNA(V. Poltev, V.M. Anisimov1, V. Dominguez, A. Deriabina, E. Gonzalez, D. Garcia, V. Vázquez-Báez, F. Rivas)
  • Part 4: Fundamental Theory
  • Chapter 13. Efficient 'Middle' Thermostat Scheme for the Quantum / Classical Canonical Ensemble via Molecular Dynamics (Xinzijian Liu, Kangyu Yan, and Jian Liu)
  • Chapter 14. Megascopic Quantum Phenomena: A Critical Study of Physical Interpretations (Michal Crvek)
  • Chapter 15. Is Abiogenesis Supported by the Second Law of Thermodynamics? (Erkki J. Brändas)
  • Chapter 16. Can Quantum Theory Concepts Shed Light on Biological Evolution Processes? (Jean Maruani).

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