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Full Description
Quantum Systems in Physics, Chemistry and Biology, Theory, Interpretation, and Results, Volume 78, the latest release in the Advances in Quantum Chemistry series presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology. It features detailed reviews written by leading international researchers.
Contents
1. Molecular Foundation of Evolution
Erkki J. Brändas
2. Entanglement Properties of Bound and Resonant Few-Body States
Arkadiusz Kuroś and Anna Okopińska
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
