LEADER 05856nam 22006855 450 001 9910380724803321 005 20251014133427.0 010 $a3-030-34941-1 024 7 $a10.1007/978-3-030-34941-7 035 $a(CKB)4100000010348972 035 $a(DE-He213)978-3-030-34941-7 035 $a(MiAaPQ)EBC6038339 035 $a(PPN)242979513 035 $a(EXLCZ)994100000010348972 100 $a20200205d2020 u| 0 101 0 $aeng 135 $aurnn|008mamaa 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aAdvances in Quantum Systems in Chemistry, Physics, and Biology $eSelected Proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018) /$fedited by Liliana Mammino, Davide Ceresoli, Jean Maruani, Erkki Brändas 205 $a1st ed. 2020. 210 1$aCham :$cSpringer International Publishing :$cImprint: Springer,$d2020. 215 $a1 online resource (XVI, 469 p.) 225 1 $aProgress in Theoretical Chemistry and Physics,$x2215-0129 ;$v32 300 $aIncludes index. 311 08$a3-030-34940-3 327 $aPart 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 ShedLight on Biological Evolution Processes? (Jean Maruani). 330 $aThis edited, multi-author book gathers selected, peer-reviewed contributions based on papers presented at the 23rd International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXIII), held in Mopani Camp, The Kruger National Park, South Africa, in September 2018. The content is primarily intended for scholars, researchers, and graduate students working at universities and scientific institutes who are interested in the structure, properties, dynamics, and spectroscopy of atoms, molecules, biological systems, and condensed matter. 410 0$aProgress in Theoretical Chemistry and Physics,$x2215-0129 ;$v32 606 $aChemistry, Physical and theoretical 606 $aAtomic structure 606 $aMolecular structure 606 $aBioinformatics 606 $aQuantum theory 606 $aTheoretical Chemistry 606 $aAtomic and Molecular Structure and Properties 606 $aComputational and Systems Biology 606 $aQuantum Physics 615 0$aChemistry, Physical and theoretical. 615 0$aAtomic structure. 615 0$aMolecular structure. 615 0$aBioinformatics. 615 0$aQuantum theory. 615 14$aTheoretical Chemistry. 615 24$aAtomic and Molecular Structure and Properties. 615 24$aComputational and Systems Biology. 615 24$aQuantum Physics. 676 $a541.28 702 $aMammino$b Liliana$4edt$4http://id.loc.gov/vocabulary/relators/edt 702 $aCeresoli$b Davide$4edt$4http://id.loc.gov/vocabulary/relators/edt 702 $aMaruani$b Jean$4edt$4http://id.loc.gov/vocabulary/relators/edt 702 $aBrändas$b Erkki$4edt$4http://id.loc.gov/vocabulary/relators/edt 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910380724803321 996 $aAdvances in Quantum Systems in Chemistry, Physics, and Biology$92294626 997 $aUNINA