Excitation energies of canonical nucleobases computed by multiconfigurational perturbation theories C Wiebeler, V Borin, AV Sanchez de Araujo, I Schapiro, AC Borin Photochemistry and photobiology 93 (3), 888-902, 2017 | 18 | 2017 |
Electronic structure and absorption spectra of fluorescent nucleoside analogues D Valverde, AVS De Araujo, AC Borin, S Canuto Physical Chemistry Chemical Physics 19 (43), 29354-29363, 2017 | 18 | 2017 |
Tips on active space construction in multiconfigurational calculations: A case study AC Borin, AVS Araújo Química Nova 38, 738-748, 2015 | 16* | 2015 |
Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI AV Sanches de Araújo, D Valverde, S Canuto, AC Borin The Journal of Physical Chemistry A 124 (34), 6834-6844, 2020 | 10 | 2020 |
Photochemical Relaxation Pathways of 9H-8-Azaguanine and 8H-8-Azaguanine AV Sanches de Araujo, AC Borin The Journal of Physical Chemistry A 123 (14), 3109-3120, 2019 | 10 | 2019 |
On the population of triplet states of 2-seleno-thymine D Valverde, S Mai, AVS de Araújo, S Canuto, L González, AC Borin Physical Chemistry Chemical Physics 23 (9), 5447-5454, 2021 | 9 | 2021 |
Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push–pull systems: a TDDFT and CASPT2 comparison AVS de Araújo, LR Marques, AC Borin, RA Ando Physical Chemistry Chemical Physics 24 (46), 28522-28529, 2022 | 4 | 2022 |
Photophysical deactivation mechanisms of the pyrimidine analogue 1-cyclohexyluracil D Valverde, AVS de Araújo, AC Borin Molecules 26 (17), 5191, 2021 | 4 | 2021 |
Photophysics of Emissive tzC[Isothiazolo‐Cytidine] and tzU[Isothiazolo‐Uridine] Pyrimidine Analogues D Valverde, AV Sanches de Araujo, S Canuto, AC Borin ChemPhotoChem 3 (9), 916-924, 2019 | 4 | 2019 |
Multiconfigurational Calculations and Experimental Resonant Raman/SERRS of a Donor–Acceptor Thiadiazole Dye AVS de Araújo, CJ Rangel, RA Ando The Journal of Physical Chemistry A 127 (51), 10789-10796, 2023 | | 2023 |
Water Solvated Zn (II)–Guanine Complex: Structural Aspects and Luminescence Properties A Vasconcelos Sanches de Araújo, AC Borin The Journal of Physical Chemistry A 127 (40), 8297-8306, 2023 | | 2023 |
Solvent Effects on the Electronic Structure and Spectroscopic Properties of an Expanded Fluorescent RNA Alphabet D Valverde, AVS de Araújo, AC Borin, SR Canuto The 10th International Meeting on Photodynamics and Related Aspects, 2018 | | 2018 |
Computational ab initio Multiconfigurational Study of the Spectroscipic Properties of Modified RNA Nucleobases in Solution D Valverde, AVS de Araújo, AC Borin, SR Canuto XL Encontro Nacional de Física da Matéria Condensada, 2017 | | 2017 |
Theoretical Investigation of the Emission Spectra and Stokes Shift of Modified Canonical Nucleobases in Gas Phase, 1, 4-dioxane, and Water DP Valverde, AVS de Araújo, AC Borin, SR Canuto Symposium on Theoretical Chemistry, 2017 | | 2017 |
Electronic Structure and Absorption Spectra of Fluorescent Nucleoside Analogues AV Araújo, D Valverde, AC Borin, S Canuto Resumos, 2017 | | 2017 |
Computation Study of the Photochemical of Modified RNA Nucleobases in Medium using Free Energy Gradient and ab initio Multiconfigurational Method DP Valverde, AVS de Araújo, AC Borin, SR Canuto XV Escola Brasileira de Estrutura Eletrônica, 2016 | | 2016 |
Fotofísica e fotoquímica de bases nucléicas modificadas AVS Araújo, AC Borin Resumos, 2015 | | 2015 |
Dicas sobre a construção do espaço ativo em cálculos multiconfiguracionais: um estudo de casos AVS Araújo, AC Borin Resumos, 2015 | | 2015 |
A Escolha do Espaço Ativo em Cálculos Multiconfiguracionais. AVS Araujo, AC Borin Resumos, 2014 | | 2014 |
Theoretical Investigation of the Emission Spectra and Stokes Shift of Modified Nucleobases in Gas Phase, 1, 4-dioxane and Water D Valverde, AVS Araújo, AC Borin, S Canuto | | |