2025

  1. L. M. F. Oliveira, D. Valverde, G. J. Costa, A. C. Borin (2025). Excited State Relaxation Mechanisms and Tautomerism Effects in 2,6-Diamino-8-Azapurine. Photochemistry and Photobiology, v. 00, p. 1-14. DOI: 10.1111/php.14045.

2024

  1. M. Navarrete-Miguel, A. Giussani, M. Rubio, M. Boggio-Pasqua, A. C. Borin, D. Roca-Sanjuán (2024). Quantum-chemistry Study of the Photophysical Properties of 4-thiouracil and Comparisons with 2-thiouracil. Journal of Physical Chemistry A, 128 [12], 2273-2285. DOI: 10.1021/acs.jpca.3c06310.
  2. L. M. F. Oliveira, D. Valverde, G. J. Costa, A. C. Borin (2024). The Copious Photochemistry of 2,6-diaminopurine: Luminescence, Triplet Population, and Ground State Recovery. Photochemistry and Photobiology, 100 [2], 323-338. DOI: 10.1111/php.13833.
  3. D. Valverde, S. Hoehn, E. Koyanagui, S. Krul, C. E. Crespo-Hernández, A. C. Borin (2024). Theoretical and Experimental Evaluation of the Electronic Relaxation Mechanisms of 2-Pyrimidinone: The Primary UVA Absorbing Moiety of the DNA and RNA (6-4) Photolesion. ChemPhotoChem, 8 [12], e202400070 (1-13). DOI: 10.1002/cptc.202400070
  4. D. Valverde, R. Beal, P. F. B. Gonçalves, A. C. Borin (2024). Excited state relaxation mechanisms of paracetamol and acetanilide. Journal of Computational Chemistry, 46 [1], e27521. DOI: 10.1002/jcc.27521

2023

  1. R. Beal,D. Valverde, P. F. B. Gonçalvez, A. C. Borin (2023). Photophysics of tzAdenine and tzGuanine Fluorescent Nucleobases Embedded into DNA and RNA. Journal of Computational Chemistry, 44 [29], 2246-2255. DOI: 10.1002/jcc.27194.
  2. A. V. S. de Araújo, A. C. Borin (2023). Water Solvated Zn(II)-Guanine Complex: Structural Aspects and Luminescence Properties. Journal of Physical Chemistry A, 127 [40], 8297-8306. DOI: 10.1021/acs.jpca.3c04132.
  3. S. E. Krul, G. J. Costa, S. J. Hoehn, D. Valverde, L. M. F. Oliveira, A. C. Borin, C. E. Crespo-Hernández (2023). Resolving Ultrafast Photoinitiated Dynamics of the Hachimoji Nucleobase: Impact of Synthetically Expanding the Genetic Alphabet. Photochemistry and Photobiology, 9 [2], 693-705. DOI: 10.1111/php.13688.

2022

  1. D. Valverde, S. Mai, S. Canuto, A. C. Borin, L. González (2022). Ultrafast Intersystem Crossing Dynamics of 6-Selenoguanine in Water. JACS Au, 2 [7], 1699-1711. DOI:10.1021/jacsau.2c00250.
  2. A. V. S. de Araújo, L. R. Marques, A. C. Borin, R. A. Ando (2022). Simulation of Charge-Transfer, UV-VIS and Resonance Raman Spectra of Push-Pull Systems: a TDDFT and CASPT2 Comparison. Physical Chemistry Chemical Physics, 24, 28522-2852946.

2021

  1. D. Valverde, A. V. S. de Araújo, A. C. Borin (2021). Photophysical Deactivation Mechanisms of the Pyrimidine Analogue 1-Cyclohexyluracil. Molecules, 26, 5191.
    DOI: 10.3390/molecules26175191.
  2. D. Valverde, S. Mai, A. V. S. de Araújo, S. Canuto, L. González, A. C. Borin (2021). On the population of triplet states of 2-seleno-thymine. Phys. Chem. Chem. Phys., 23, 5447 - 5454.
    DOI: 10.1039/d1cp00041a.
  3. Ye-Guang Fang, D. Valverde, S. Mai, S. Canuto, A. C. Borin, Ganglong Cui, L. González (2021). Excited-State Properties and Relaxation Pathways of Selenium-Substituted Guanine Nucleobase in Aqueous Solution and DNA Duplex. J. Phys. Chem. B, 125, 1778 − 1789.
    DOI: 10.1021/acs.jpcb.0c10855.

2020

  1. A. V. S. de Araújo, D. P. Valverde, S. Canuto, A. C. Borin (2020). Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI. J. Phys. Chem. A, 124, 6834 - 6844. DOI: 10.1021/acs.jpca.0c03398.
  2. C. M. Andreazza, A. A. de Almeida, G. J. Costa, A. C. Borin (2020). Radiative Association of P and Cl Atoms. Theor. Chem. Acc. 139, 97. DOI: 10.1007/s00214-020-02606-y.
  3. A. A. de Almeida, C. M. Andreazza, A. C. Borin (2020). Formation of PS Through Radiative Association. Theor. Chem. Acc. 139, 33. DOI: 10.1007/s00214-020-2545-8.

2019

  1. A. V. S. Araújo, A. C. Borin (2019). Photochemical Relaxation Pathways of 9H-8-Azaguanine and 8H-8-Azaguanine. J. Phys. Chem. A 123(14), 3109 - 3120.
    DOI: 10.1021/acs.jpca.9b01397.
  2. D. Valverde, A. V. S. de Araújo, S. Canuto, A. C. Borin (2019). Photophysics of Emissive tzC[Isothiazolo-Cytidine] and tzU[Isothiazolo-Uridine] Pyrimidine Analogues. ChemPhotoChem, 3, 916 – 924. DOI: 10.1002/cptc.201900072.

2018

  1. A. C. Borin (2018). Light and nucleobases: A good interaction for everybody. J. of Luminescence 198, 433 - 437. DOI: 10.1016/j.jlumin.2018.02.066.
  2. G. J. Costa, A. C. Borin, R. Custodio, L. N. Vidal (2018). Fully Anharmonic Vibrational Resonance Raman Spectrum of Diatomic Systems. J. Chem. Theory Comput. 14, 843 - 855. DOI: 10.1021/acs.jctc.7b01034.

2017

  1. D. Valverde, A. V. S. de Araújo, A. C. Borin, S. Canuto (2017). Electronic Structure and Absorption Spectra of Fluorescent Nucleoside Analogues. Phys. Chem. Chem. Phys. 19, 29354 - 29363. DOI: 10.1039/C7CP04885H.
  2. C. Wiebeler. V. Borin, A. V. S. de Araújo, I. Schapiro, A. C. Borin (2017). Excitation Energies of Canonical Nucleobases Computed by Multiconfigurational Perturbation Theories. Photochem. Photobiol. 93, 888 - 902. DOI: 10.1111/php.12765.
  3. A. C. Borin, S. Mai, P. Marquetand, L. González (2017). Ab initio Molecular Dynamics Relaxation and Intersystem Crossing Mechanisms of 5-Azacytosine. Phys. Chem. Chem. Phys. 19, 5888 - 5894. DOI: 10.1039/c6cp07919a.

2016

  1. C. M. Andreazza, A. A. de Almeida, A. C. Borin (2016). The Radiative Association of P and O Atoms. Mon. Not. of R. Astron. Soc. (MNRAS) 457, 3096 - 3100. DOI: 10.1093/mnras/stw116.
  2. N. M. Monezi, A. C. Borin, P. S. Santos, R. A. Ando (2016). The Thermodinamic Bebavior of Aromatic Amine-SO2 Charge Transfer Complexes. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 173, 463 - 467. DOI: 10.1016/j.saa.2016.09.043.

2015

  1. M. Barbatti, A. C. Borin, S. Ullrich (editors) (2015). Photoinduced Processes in Nucleic Acids. Top. Curr. Chem. Vols. 355, 356: Photoinduced Phenomena in Nucleic Acids I. ISBN - I: 978-3-319-13370-6 (Print) 978-3-319-13371-3 (Online); DOI: 10.1007/978-3-319-13371-3. Springer.
  2. M. Barbatti, A. C. Borin, S. Ullrich (editors) (2015). Photoinduced Processes in Nucleic Acids. Top. Curr. Chem. Vols. 355, 356: Photoinduced Phenomena in Nucleic Acids II. ISBN - II: 978-3-319-13271-6 (Print) 978-3-319-13272-3 (Online); DOI: 10.1007/978-3-319-13272-3. Springer.
  3. A. C. Borin, A. V. S. de Araújo (2015). Dicas Sobre a Construção do Espaço Ativo em Cálculos Multiconfiguracionais: Um Estudo de Casos. Química Nova, 38(05) 738 - 748.
    DOI: 10.5935/0100-4042.20150054.

2014

  1. M. Barbatti, A. C. Borin, S. Ullrich (2014). Photoinduced Processes in Nucleic Acids. Top. Curr. Chem. Vol. 355: Photoinduced Phenomena in Nucleic Acids I (M. Barbatti, A. C. Borin, S. Ullrich, editors), 1 - 32. DOI: 10.1007/128_2014_569.
  2. A. Giussani, M. Merchán, J. P. Gobbo, A. C. Borin (2014). Relaxation Mechanisms of 5‑Azacytosine. J. Chem. Theory Comput. 10, 3915 - 3924. DOI: 10.1021/ct5003175.
  3. R. Casarano, P. A. R Pires, A. C. Borin, O. El Seoud (2014). Novel Solvents for Cellulose: Use of Dibenzyldimethylammonium Fluoride/Dimethyl Sulfoxide (DMSO) as Solvent for the Etherification of the Biopolymer and Comparison with Tetra(1-butyl)Ammonium Fluoride/DMSO. Industrial Crops and Products, 54, 185 - 191. DOI: 10.1016/j.indcrop.2014.01.031.
  4. J. P. Gobbo, A. C. Borin (2014). 2-Thiouracil Deactivation Pathways and Triplet States Population. Comp. and Theor. Chem. 1040–1041, 195 – 201. DOI: 10.1016/j.comptc.2014.03.021.
  5. A. C. Borin, J. P. Gobbo, C. A. M. Castro (2014). The Low-Lying Electronic States of ReB. J. Mol. Model. 20, 2285. DOI: 10.1007/s00894-014-2285-6.

2013

  1. J. P. Gobbo and A. C. Borin. On The Population of Triplet Excited States of 6-Aza-2-Thiothymine. J. Phys. Chem. A. 117, 5589 - 5596. DOI: 10.1021/jp403508v.
  2. V. V. Sauri, J. P. Gobbo, J. J. Serrano-Pérez, M. Lundberg, P. B. Coto, L. Serrano-Andrés, A. C. Borin, R. Lindh, M. Merchán, D. Roca-Sanjuán. Proton/Hydrogen Transfer Mechanisms in the Guanine-Cytosine Base Pair: Photostability and Tautomerism. J. Chem. Theory and Comput. 9, 481 - 496. DOI: 10.1021/ct3006166.

2012

  1. J. P. Gobbo e A. C. Borin. On the Mechanisms of Triplet Excited State Population in 8-Azaadenine. J. Phys. Chem. B, 116, 14000 - 14007. DOI: 10.1021/jp3091599.
  2. J. P. Gobbo, V. Saurí, D. Roca-Sanjuán, L. Serrano-Andrés, M. Merchán, A. C. Borin (2012). On the Deactivation Mechanisms of Adenine-Thymine Base Pair. J. Phys. Chem. B, 116, 4089 - 4097. DOI: 10.1021/jp300583h.

2011

  1. J. P. Gobbo e A. C. Borin. The Ground and Lowest-Lying Electronic States of MoB and MoB+ . Int. J. of Quantum Chem. 111, 3362 - 3370. DOI: 10.1002/qua.22963.
  2. J. P. Gobbo, A. C. Borin and L. Serrano-Andrés. On the Relaxation Mechanisms of 6-Azauracil. J. of Phys. Chem. B, 115, 6243 - 6251. DOI: 10.1021/jp200297z.
  3. A. C. Borin and J. P. Gobbo. Electronic Structure and Chemical Bonding in the Lowest Electronic States of Ta2. Int. J. of Quantum Chem. 111, 1306 - 1315. DOI: 10.1002/qua.22565.

2010

  1. A. Lópes-Castillo and A. C. Borin. Solvatochromic Shift of the π→π* Transition in all-trans, cis-13, cis-11, cis-9, and cis-7 Retinal Isomers Induced by Water and Methanol. Int. J. of Quantum Chem. 110, 2076 - 2087. DOI: 10.1002/qua.22622.
  2. V. Ludwig, M. S. do Amaral, Z. M. da Costa, A. C. Borin, S. Canuto, and L. Serrano-Andrés. Photophysics and Photostability of Adenine in Aqueous Solution: A Theoretical Study. Chem. Phys. Lett., 492, 164 - 169. DOI: 10.1016/j.cplett.2010.04.048.
  3. A. C. Borin, J. P. Gobbo and B. O. Roos. Electronic Structure and Chemical Bonding in W2 Molecule. Chem. Phys. Lett., 490, 24 - 28. DOI: 10.1016/j.cplett.2010.03.022.

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