Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one 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. In this volume the readers are presented with an exciting combination of themes. 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 biologyFeatures detailed reviews written by leading international researchersTopics include: New advances in Quantum Chemical Physics; Original theory and a contemporary overview of the field of Theoretical Chemical Physics; State-of-the-Art calculations in Theoretical Chemistry INDICE: 1. Janos Ladik Some reminiscences Maximilian Seel 2. Fundamental symmetries, parity violation and tunneling in chiral and chiral molecules Martin Quack 3. Attosecond resolved Quantum Chemistry Cleanthes Nicolaides 4. Competing Excited-State Deactivation Processes in Bacteriophytochromes Bo Durbeej 5. A New Family of Two-Dimensional Covalent Organic Nanosheets Hans Ågren 6. Directional Chemical Perspective with Next Generation QTAIM Samantha Jenkins 7. A Study of the protein-DNA backbone interaction in the presence of Dications Attila Bende 8. On the Development and Implementation of Multi-CPU Parallel Versions of Accurate, General Purpose, Methods of Multireference Perturbation Theories Mark Hoffmann 9. Quantum mechanical non-Born-Oppenheimer calculations of small atoms and molecules Ludwik Adamowicz 10. Environment Contribution to Molecular Spectroscopy, Reactivity and Photochemistry Sylvio Canuto 11. Molecules driven by light: Electron and nuclear dynamics Peter Saalfrank 12. Machine Learning for electron-transfer couplings Chao-Ping Hsu 13. Limits of Stability in Three-Body Coulomb Systems Hazel Cox 14. Quantum Chemistry Assisted by Machine Learning Pavlo O. Dral 15. Theoretical Study of Bisphenol A Photolysis Elena Bocharnikova
- ISBN: 978-0-12-819757-8
- Editorial: Academic Press
- Encuadernacion: Cartoné
- Páginas: 312
- Fecha Publicación: 01/09/2020
- Nº Volúmenes: 1
- Idioma: Inglés