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.

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, 127 [40], 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.

2022

  1. S. E. Krul, G. J. Costa, S. J. Hoehn, D. Valverde, L. M. F. Oliveira, A. C. Borin, C. E. Crespo-Hernández (2022). 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.
  2. 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.
  3. 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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