Quantum Systems in Physics, Chemistry and Biology - Theory, Interpretation and Results: Volume 78

ISBN-13: 9780128160848 / Angielski / Twarda / 2019 / 486 str.

Samantha Jenkins; Steven R. Kirk; Jean Maruani

Spis treści

1. Molecular Foundation of Evolution Erkki J. Brändas 2. Entanglement Properties of Bound and Resonant Few-Body States Arkadiusz Kuros and Anna Okopinska 3. How Does Vibrational Excitation Affect the X-ray Absorption Spectra of Monohydrated Halide and Alkali Metal Clusters? Kaito Takahashi 4. Complexes of Hyperguinones A and B with a Cu2+ Ion: A DFT Study Liliana Mammino 5. Thermodynamics of 5-Bromouracil Tautomerisation From First-Principles Molecular Dynamics Simulations Leo F. Holroyd, Michael Bühl, Marie-Pierre Gaigeot, and Tanja van Mourik 6. Parallel Cascade Selection Molecular Dynamics Simulations for Transition Pathway Sampling of Biomolecules Ryuhei Harada and Yasuteru Shigeta 7. Non-linear Chaotic Dynamics of Quantum Systems: Molecules in an Electromagnetic Field Anna V. Ignatenko, Anna A. Buyadzhi, Vasily V. Buyadzhi, Anna A. Kuznetsova, Alexander A. Mashkantsev, and Eugeny V. Ternovsky 8. Advanced Quantum Approach in Radiative and Collisional Spectroscopy of Multicharged Ions in Plasmas Vasily V. Buyadzhi, Anna A. Kuznetsova, Anna A. Buyadzhi, Eugeny V. Ternovsky, and Tatyana B. Tkach 9. Quantum Chemistry and Spectroscopy of Pionic Atomic Systems with Accounting for Relativistic, Radiative and Strong Interaction Effects Yuliya V. Dubrovskaya, Olga Yu. Khetselius, Larisa A. Vitavetskaya, Valentin B. Ternovsky and Inga N. Serga 10. Optimized Relativistic Many-Body Perturbation Theory Calculation of Wavelengths and Oscillator Strengths for Li-like Multicharged Ions Olga Yu. Khetselius 11. Multiphoton Spectroscopy of Atoms and Nuclei in a Laser Field: Relativistic Energy Approach and Radiation Atomic Lines Moments Method Alexander V. Glushkov 12. Spectroscopy of Multielectron Atomic Systems in a DC Electric Field Anna A. Kuznetsova, Alexander V. Glushkov, Anna V. Ignatenko, Andrey A. Svinarenko, and Valentin B. Ternovsky 13. Theoretical Elucidation of Geometrical Structures of the CaMn4O5 Cluster in Oxygen Evolving Complex of Photosystem II Scope and Applicability of Estimation Formulae of Structural Deformations via the Mixed-Valence and Jahn-Teller Effects Mitsuo Shoji, Hiroshi Isobe , Shusuke Yamanaka, Yasufumi Umena, Keisuke Kawakami, Nobuo Kamiya, and Kizashi Yamaguchi

O autorze

Samantha Jenkins is at Hunan Normal University, Peoples Republic of China Steven R. Kirk is at Hunan Normal University, Peoples Republic of China Jean Maruani is at CNRS & UPMC, Paris, France Erkki Brändas was born in Tampere, Finland in July1940 and was, as a Finnish war child, transported to Sweden in February 1942, finally adopted by his Swedish parents and given Swedish citizenship in 1947. He received his FL (PhD) in 1969 and Doctor of Philosophy (habilitation) in 1972, both at Uppsala University. Except for guest professorships in USA, Germany, Israel, he spent his professional career in Uppsala employed as Assistant- Associate- and Full Professor from 1975 until retirement in 2007. In addition to serving as chairman of the department of Quantum Chemistry, he was appointed Executive Director of the Uppsala Graduate School Advanced Instrumentation and Measurement supervising the doctoral education of 35 PhD's from 1997-2007. He has served on various international scientific and editorial boards, e.g. Wiley, Elsevier and Springer including the service as Editor-in-Chief for the International Journal of Quantum Chemistry, Series Editor of the Advances in Quantum Chemistry. He is the current President of the International Society for Theoretical Chemical Physics, since 15 years, chairing a variety of international congresses and other numerous meetings, schools and workshops. He has published over 260 articles and edited more than 50 books on fundamental theoretical chemical physics from research on atoms, molecules and solid-state physics to complex enough systems in biology - from the microscopic realm to the cosmological rank.