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TD‐DFT analysis of the excitation of H‐dimers of cationic dyes in an aqueous solution using functionals without additional dispersion correction.
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- International Journal of Quantum Chemistry, 2024, v. 124, n. 3, p. 1, doi. 10.1002/qua.27349
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- Article
4a,4b-Dihydrophenanthrene → cis-stilbene photoconversion: TD-DFT/DFT study.
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- Journal of Molecular Modeling, 2024, v. 30, n. 1, p. 1, doi. 10.1007/s00894-023-05824-w
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- Article
Computational analysis of photoisomerization of unsubstituted spirooxazine by TD-DFT: solvent effect and functional choice.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 1, p. 1, doi. 10.1007/s00214-023-03078-6
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- Article
TD‐DFT study of BIPS spiropyran: Effects of functionals and high‐polarity solvent on C<sub>spiro</sub>O bond dissociation and recovery.
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- Journal of Computational Chemistry, 2023, v. 44, n. 24, p. 1928, doi. 10.1002/jcc.27175
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- Article
Coumarin 343 in aqueous solution: theoretical analysis of absorption.
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- Journal of Molecular Modeling, 2022, v. 28, n. 5, p. 1, doi. 10.1007/s00894-022-05122-x
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- Article
Excitation of neutral red dye in aqueous media: comparative theoretical analysis of neutral and cationic forms.
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- Journal of Molecular Modeling, 2022, v. 28, n. 4, p. 1, doi. 10.1007/s00894-022-05098-8
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- Article
Vibronic absorption spectra and excited states of acridine red dye in aqueous solution: TD-DFT/DFT study.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2022, v. 77, n. 3, p. 207, doi. 10.1515/zna-2021-0270
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- Article
Excitation of rhodamine 800 in aqueous media: a theoretical investigation.
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- Journal of Molecular Modeling, 2022, v. 28, n. 2, p. 1, doi. 10.1007/s00894-022-05034-w
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- Article
Photoexcitation of cresyl violet dye in aqueous solution: TD-DFT study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 12, p. 1, doi. 10.1007/s00214-021-02853-7
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- Article
Photoexcitation of oxazine 170 dye in aqueous solution: TD-DFT study.
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- Journal of Molecular Modeling, 2021, v. 27, n. 11, p. 1, doi. 10.1007/s00894-021-04931-w
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- Article
Vibronic absorption spectrum and electronic properties of azure C in aqueous solution: TD-DFT study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 8, p. 1, doi. 10.1007/s00214-021-02808-y
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- Article
TD‐DFT absorption spectrum of Azure A in aqueous solution: Vibronic transitions and electronic properties.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 14, p. 1, doi. 10.1002/qua.26662
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- Article
The electronic states and vibronic absorption spectrum of berberine in aqueous solution.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 6, p. 1, doi. 10.1002/qua.26537
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- Article
The Vibronic Absorption Spectrum and Electronic States of Nile Red in Aqueous Solution.
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- ChemistrySelect, 2021, v. 6, n. 6, p. 1297, doi. 10.1002/slct.202004763
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- Article
The Effect of Graphene Oxide on the Properties and Release of Drugs from Apatite-Polymer Composites.
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- Journal of Nano- & Electronic Physics, 2020, v. 12, n. 4, p. 1, doi. 10.21272/jnep.12(4).04029
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- Article
Control law synthesis of the wind-driven power-plant with variable geometry.
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- EAI Endorsed Transactions on the Energy Web, 2019, v. 6, n. 23, p. 1, doi. 10.4108/eai.13-7-2018.157036
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- Article
Control law synthesis of the wind-driven power-plant with variable geometry.
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- EAI Endorsed Transactions on the Energy Web, 2018, v. 5, n. 18, p. 1, doi. 10.4108/eai.13-7-2018.157036
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- Article
Control law synthesis of the wind-driven power-plant with variable geometry.
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- EAI Endorsed Transactions on the Energy Web, 2018, v. 5, n. 17, p. 1, doi. 10.4108/eai.13-7-2018.157036
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- Article
Control law synthesis of the wind-driven power-plant with variable geometry.
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- EAI Endorsed Transactions on the Energy Web, 2018, v. 5, n. 16, p. 1, doi. 10.4108/eai.13-7-2018.157036
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- Article
Comparative Analysis of the Antineoplastic Activity of C Fullerene with 5-Fluorouracil and Pyrrole Derivative In Vivo.
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- Nanoscale Research Letters, 2017, v. 12, n. 1, p. 1, doi. 10.1186/s11671-016-1775-0
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STUDIES BY MEANS OF ¹H NMR SPECTROSCOPY OF COMPLEX FORMATION OF AROMATIC BIOLOGICALLY ACTIVE COMPOUNDS WITH ANTIBIOTIC TOPOTECAN.
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- Ukrains'kyi Biokhimichnyi Zhurnal, 2012, v. 84, n. 2, p. 61
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Calculation of the electrostatic charges and energies for intercalation of aromatic drug molecules with DNA.
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- International Journal of Quantum Chemistry, 2011, v. 111, n. 3, p. 711, doi. 10.1002/qua.22451
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- Article
Hexamer oligonucleotide topology and assembly under solution phase NMR and theoretical modeling scrutiny.
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- Biopolymers, 2010, v. 93, n. 12, p. 1023, doi. 10.1002/bip.21515
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Partition of thermodynamic energies of drug-DNA complexation.
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- Biopolymers, 2009, v. 91, n. 9, p. 773, doi. 10.1002/bip.21227
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Electrostatic contribution to the energy of binding of aromatic ligands with DNA.
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- Biopolymers, 2008, v. 89, n. 8, p. 680, doi. 10.1002/bip.20985
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- Article