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Quantitative Structure Activity Relationship Study of 2,4,6-Trisubstituted-s-triazine Derivatives as Antimalarial Inhibitors of Plasmodium Falciparum Dihydrofolate Reductase.
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- Chemical Biology & Drug Design, 2011, v. 77, n. 1, p. 57, doi. 10.1111/j.1747-0285.2010.01045.x
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- Article
Novel 1‐Triazolylpyranopyrazoles as Highly Potent Anticancer Agents Obtained via MW‐Assisted Synthesis.
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- ChemistrySelect, 2021, v. 6, n. 4, p. 589, doi. 10.1002/slct.202003680
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- Article
Adsorptive Degradation of Phosmet Using Hierarchically Porous Calcium Oxide : An Experimental and Theoretical Study.
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- ChemistrySelect, 2020, v. 5, n. 3, p. 1235, doi. 10.1002/slct.201904740
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- Article
Adsorption of Bromonitromethane over Graphene‐Based Substrates: A Density Functional Theory Analysis.
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- ChemistrySelect, 2019, v. 4, n. 17, p. 4967, doi. 10.1002/slct.201900082
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- Article
Design, Synthesis and Evaluation of 1H‐1,2,3‐Triazol‐4‐yl‐methyl Tethered 3‐Pyrrolylisatins as Potent Anti‐Breast Cancer Agents.
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- ChemistrySelect, 2018, v. 3, n. 19, p. 5263, doi. 10.1002/slct.201800420
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- Article
Facile synthesis of mesoporous magnesium oxide–graphene oxide composite for efficient and highly selective adsorption of hazardous anionic dyes.
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- Research on Chemical Intermediates, 2020, v. 46, n. 5, p. 2497, doi. 10.1007/s11164-020-04103-0
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- Article
Thiazolidinones: Synthesis, Reactivity, and Their Biological Applications.
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- Journal of Heterocyclic Chemistry, 2019, v. 56, n. 4, p. 1239, doi. 10.1002/jhet.3514
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- Article
Understanding the impact of surfactants on semiconductor CdSe nanoclusters: a computational study.
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- Journal of Nanoparticle Research, 2024, v. 26, n. 8, p. 1, doi. 10.1007/s11051-024-06094-0
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- Article
Size-dependent structural and electronic properties of stoichiometric II–VI quantum dots and gas sensing ability of CdSe quantum dots: a DFT study.
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- Journal of Nanoparticle Research, 2022, v. 24, n. 2, p. 1, doi. 10.1007/s11051-022-05406-6
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- Article
A DFT-D2 study on Mo<sub>4-x</sub>Co<sub>x</sub> (x = 0–3) cluster-decorated graphene and the adsorption of SO<sub>2</sub>F<sub>2</sub> and SOF<sub>2</sub> on Mo<sub>4</sub>-decorated graphene.
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- Journal of Nanoparticle Research, 2020, v. 22, n. 9, p. N.PAG, doi. 10.1007/s11051-020-05014-2
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- Article
DFT study of adsorption of glyphosate pesticide on Pt-Cu decorated pyridine-like nitrogen-doped graphene.
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- Journal of Nanoparticle Research, 2020, v. 22, n. 1, p. 1, doi. 10.1007/s11051-019-4730-z
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- Article
Effects of increasing number of rings on the ion sensing ability of CdSe quantum dots: a theoretical study.
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- Journal of Nanoparticle Research, 2018, v. 20, n. 4, p. 1, doi. 10.1007/s11051-018-4218-2
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- Article
Effect of aqueous solvation on the structures of pyruvic acid isomers and their reactions in solution: a computational study.
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- Journal of Physical Organic Chemistry, 2008, v. 21, n. 1, p. 23, doi. 10.1002/poc.1270
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- Article
Formation of water-soluble and biocompatible TOPO-capped CdSe quantum dots with efficient photoluminescence.
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- Journal of Materials Science: Materials in Medicine, 2009, v. 20, p. 123, doi. 10.1007/s10856-008-3494-2
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- Article
A theoretical assessment of the structural and electronic features of some retrochalcones.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 24, p. 1, doi. 10.1002/qua.26797
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- Article
Theoretical investigation of the alloxan-dialuric acid redox cycle.
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- International Journal of Quantum Chemistry, 2013, v. 113, n. 17, p. 2060, doi. 10.1002/qua.24441
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- Article
C<sub>3</sub>H<sub>4</sub>: Theoretical study of structures and stabilities of isomers.
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- International Journal of Quantum Chemistry, 1996, v. 58, n. 4, p. 389, doi. 10.1002/(SICI)1097-461X(1996)58:4<389::AID-QUA8>3.0.CO;2-U
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- Article
Theoretical study of the thermal unimolecular rearrangement of fluoroethylidenes.
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- International Journal of Quantum Chemistry, 1992, v. 44, n. 3, p. 363, doi. 10.1002/qua.560440305
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- Article
In silico study of the synergistic anti-tumor effect of hybrid topoisomerase-HDAC inhibitors.
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- Pure & Applied Chemistry, 2021, v. 93, n. 10, p. 1213, doi. 10.1515/pac-2021-0111
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Assessment of theoretical methods for the study of hydrogen abstraction kinetics of global warming gas species during their degradation and byproduct formation (IUPAC Technical Report).
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- Pure & Applied Chemistry, 2013, v. 85, n. 9, p. 1901, doi. 10.1351/PAC-REP-10-02-38
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Synthesis, pharmacological evaluation and molecular docking of pyranopyrazole-linked 1,4-dihydropyridines as potent positive inotropes.
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- Molecular Diversity, 2017, v. 21, n. 3, p. 533, doi. 10.1007/s11030-017-9738-7
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Exploration of Choline Chloride Based Type II and Type III Deep Eutectic Solvents: A Computational and Experimental Approach.
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- ChemistrySelect, 2024, v. 9, n. 10, p. 1, doi. 10.1002/slct.202305215
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- Article
Isatin‐Triazole‐Tethered, Tetrahydropyridine‐Based Chemosensors for Selective Recognition of Fe<sup>3+</sup> Ions and Molecular Logic Gate Behavior.
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- ChemistrySelect, 2023, v. 8, n. 19, p. 1, doi. 10.1002/slct.202300513
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N, N'‐Disubstituted Benzimidazolium Salts: Synthesis, Characterization, Micromolar Detection of Fe(III) ions in Aqueous system, Biological Evaluation and Molecular Docking Studies.
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- ChemistrySelect, 2022, v. 7, n. 48, p. 1, doi. 10.1002/slct.202203239
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- Article
Computational Studies on Reactions of Some Organic Azides with C H Bonds.
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- ChemistrySelect, 2021, v. 6, n. 17, p. 4368, doi. 10.1002/slct.202101037
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- Article
Synergetic effect of sodium citrate and starch in the synthesis of silver nanoparticles.
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- Journal of Applied Polymer Science, 2012, v. 126, p. E154, doi. 10.1002/app.36727
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- Article
Unimolecular rearrangements of ethylnitrene: An exploratory theoretical study.
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- Journal of Computational Chemistry, 1991, v. 12, n. 10, p. 1211, doi. 10.1002/jcc.540121007
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- Article
Comparison of various core electron treatments for studying the properties of II-VI quantum dots and their bulk counterparts: a DFT study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 7, p. 1, doi. 10.1007/s00214-024-03134-9
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- Article
Mesoporous rGO@ZnO composite: Facile synthesis and excellent water treatment performance by pesticide adsorption and catalytic oxidative dye degradation.
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- Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers Part A, 2020, v. 160, p. 254, doi. 10.1016/j.cherd.2020.04.040
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Graphene-based adsorbents for water remediation by removal of organic pollutants: Theoretical and experimental insights.
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- Chemical Engineering Research & Design: Transactions of the Institution of Chemical Engineers Part A, 2020, v. 153, p. 21, doi. 10.1016/j.cherd.2019.10.013
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Design, synthesis and biological evaluation of antimalarial activity of new derivatives of 2,4,6- s-triazine.
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- Chemistry Central Journal, 2017, v. 11, n. 1, p. 1, doi. 10.1186/s13065-017-0362-5
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- Article
Theoretical study of the kojic acid structure in gas phase and aqueous solution.
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- International Journal of Quantum Chemistry, 2011, v. 111, n. 15, p. 4318, doi. 10.1002/qua.22968
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The Curtius rearrangement of some organic azides: A DFT mechanistic study.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1058, doi. 10.1002/qua.21911
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Theoretical study of unimolecular rearrangements of vinylidenes to acetylenes.
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- International Journal of Quantum Chemistry, 2005, v. 102, n. 2, p. 189, doi. 10.1002/qua.20382
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- Article
C<sub>3</sub>H<sub>4</sub>: Density functional study of interconversion of isomers.
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- International Journal of Quantum Chemistry, 2003, v. 94, n. 2, p. 93, doi. 10.1002/qua.10600
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- Article
Theoretical study of the excited singlet and triplet states of alloxan.
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- International Journal of Quantum Chemistry, 2002, v. 86, n. 5, p. 502, doi. 10.1002/qua.1190
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- Article
AM1 study of proton-transfer reactions of barbituric acid.
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- International Journal of Quantum Chemistry, 1999, v. 74, n. 3, p. 327, doi. 10.1002/(SICI)1097-461X(1999)74:3<327::AID-QUA5>3.0.CO;2-O
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- Article
Triazole-based C3-symmetric multivalent dendritic architecture as Cu(II) ion sensor.
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- Indian Journal of Chemical Technology, 2023, v. 30, n. 1, p. 111, doi. 10.56042/ijct.v30i1.66216
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- Article