1. |
|
|
2. |
|
|
3. |
|
|
4. |
|
|
5. |
- Navarrete-Miguel, M., et al.
(författare)
-
Quantum chemistry of the excited state : Recent trends in methods developments and applications
- 2019
-
Ingår i: Photochemistry. - Cambridge : Royal Society of Chemistry. - 1465-1947. - 9781788013369 ; , s. 28-77
-
Bokkapitel (refereegranskat)abstract
- Advances (2016-2017) in Quantum Chemistry of the Excited State (QCEX) are presented in this book chapter focusing firstly on developments of methodology and excited-state reaction-path computational strategies and secondly on the applications of QCEX to study light-matter interaction in distinct fields of biology, (nano)-technology, medicine and the environment. We highlight in this contribution developments of static and dynamic electron-correlation methods and methodological approaches to determine dynamical properties, recent examples of the roles of conical intersections, novel DNA spectroscopy and photochemistry findings, photo-sensitisation mechanisms in biological structures and the current knowledge on chemi-excitation mechanisms that give rise to light emission (in the chemiluminescence and bioluminescence phenomena).
|
|