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Structure and photochemistry of fluorescent Nucleobaseas and metal mediated base pairs

Grant number: 18/19454-5
Support type:Regular Research Grants
Duration: February 01, 2019 - January 31, 2021
Field of knowledge:Physical Sciences and Mathematics - Chemistry
Principal Investigator:Antonio Carlos Borin
Grantee:Antonio Carlos Borin
Home Institution: Instituto de Química (IQ). Universidade de São Paulo (USP). São Paulo , SP, Brazil


Our main goal is to describe photochemical and photophysical properties of modified nucleobases of biological and technological relevance, with emphasis on highly fluorescent nucleobases and pairs of nucleobases mediated by transition metals. We will employ multiconfigurational ab initio quantum methods, but due to the size and complexity of the systems, we will also investigate other quantum methods which are less demanding computationally, without compromising the quality of the results. For comparison, we will use the results obtained with the multiconfigurational methods. (AU)

Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
SANCHES DE ARAUJO, ADALBERTO VASCONCELOS; BORIN, ANTONIO CARLOS. Photochemical Relaxation Pathways of 9H-8-Azaguanine and 8H-8-Azaguanine. Journal of Physical Chemistry A, v. 123, n. 14, p. 3109-3120, APR 11 2019. Web of Science Citations: 0.

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