| Grant number: | 18/02257-2 |
| Support Opportunities: | Scholarships abroad - Research Internship - Doctorate |
| Start date: | June 10, 2018 |
| End date: | December 09, 2018 |
| Field of knowledge: | Physical Sciences and Mathematics - Physics - Atomic and Molecular Physics |
| Principal Investigator: | Márcio Teixeira do Nascimento Varella |
| Grantee: | Lucas Medeiros Cornetta |
| Supervisor: | Todd Joseph Matinez |
| Host Institution: | Instituto de Física (IF). Universidade de São Paulo (USP). São Paulo , SP, Brazil |
| Institution abroad: | Stanford University, United States |
| Associated to the scholarship: | 15/17273-5 - Electro-Induced processes in Thymine and Uracile complexes., BP.DR |
Abstract Electron-induced dynamics of molecules usually give rise to rich physico-chemical processes, by means of intermediate transient anion states. Usual theoretical descriptions of the dynamics of these resonant anions are still limited either to very small systems or to very simplified models. We have proposed a novel approach to the problem, based on the AIMS approach, in which the nuclear dynamic is computed quantum mechanically and the non-adiabatic effects are included. The methodology will initially be applied to study the dynamics of anionic species of 5BrU[H2O]n clusters. The main motivation is to mimetize the water environment effects on the formation of transient negative ions of radio sensitizers such as 5-BrU. A recent experiment has motivated the choice of the system to be addressed. (AU) | |
| News published in Agência FAPESP Newsletter about the scholarship: | |
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