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Adsorption and Corrosion Inhibition Studies of Some Selected Dyes as Corrosion Inhibitors for Mild Steel in Acidic Medium: Gravimetric, Electrochemical, Quantum Chemical Studies and Synergistic Effect with Iodide Ions.
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- Molecules, 2015, v. 20, n. 9, p. 16004, doi. 10.3390/molecules200916004
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Some Phthalocyanine and Naphthalocyanine Derivatives as Corrosion Inhibitors for Aluminium in Acidic Medium: Experimental, Quantum Chemical Calculations, QSAR Studies and Synergistic Effect of Iodide Ions.
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- Molecules, 2015, v. 20, n. 9, p. 15701, doi. 10.3390/molecules200915701
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Porphyrins as Corrosion Inhibitors for N80 Steel in 3.5% NaCl Solution: Electrochemical, Quantum Chemical, QSAR and Monte Carlo Simulations Studies.
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- Molecules, 2015, v. 20, n. 8, p. 15122, doi. 10.3390/molecules200815122
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Isolation, identification and radical scavenging activity of phlorotannin derivatives from brown algae, Ecklonia maxima: An experimental and theoretical study.
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- Free Radicals & Antioxidants, 2013, v. 3, p. S1, doi. 10.1016/j.fra.2013.10.006
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The conformational preferences of acylphloroglucinols-a promising class of biologically active compounds.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 23, p. 3691, doi. 10.1002/qua.24012
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Computational study of the patterns of weaker intramolecular hydrogen bonds stabilizing acylphloroglucinols.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 14, p. 2650, doi. 10.1002/qua.23280
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A comparative study of the dimers of selected hydroxybenzenes.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 2, p. 519, doi. 10.1002/qua.23025
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Interplay of intramolecular hydrogen bonds, OH orientations, and symmetry factors in the stabilization of polyhydroxybenzenes.
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- International Journal of Quantum Chemistry, 2011, v. 111, n. 14, p. 3701, doi. 10.1002/qua.22845
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Adducts of acylphloroglucinols with explicit water molecules: Similarities and differences across a sufficiently representative number of structures.
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- International Journal of Quantum Chemistry, 2010, v. 110, n. 13, p. 2378, doi. 10.1002/qua.22704
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A computational study of the carboxylic acid of phloroglucinol in vacuo and in water solution.
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- International Journal of Quantum Chemistry, 2010, v. 110, n. 3, p. 595, doi. 10.1002/qua.22262
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A computational study of the interactions of the caespitate molecule with water.
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- International Journal of Quantum Chemistry, 2008, v. 108, n. 10, p. 1772, doi. 10.1002/qua.21594
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Antioxidant and anticancer properties of plant‐based bioactive flavonoids cardamonin and alpinetin: A theoretical insight from <sup>•</sup>OOH antiradical and Cu (II) chelation mechanisms.
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- Journal of Physical Organic Chemistry, 2023, v. 36, n. 2, p. 1, doi. 10.1002/poc.4428
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Adsorption, Thermodynamic and Quantum Chemical Studies of 1-hexyl-3-methylimidazolium Based Ionic Liquids as Corrosion Inhibitors for Mild Steel in HCl.
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- Materials (1996-1944), 2015, v. 8, n. 6, p. 3607, doi. 10.3390/ma8063607
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Reactivity of Isocyanate Radical with Formic Acid in the Tropospheric and Outer Space Regions: A DFT and MP2 Investigation in Gaseous Phase.
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- ChemistrySelect, 2023, v. 8, n. 48, p. 1, doi. 10.1002/slct.202302578
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Application of PC‐SAFT EoS and SCFT for the modeling of thermophysical properties comprising deep eutectic solvent and alcohols.
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- Asia-Pacific Journal of Chemical Engineering, 2024, v. 19, n. 3, p. 1, doi. 10.1002/apj.3031
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Preferential alkali metal adduct formation by cis geometrical isomers of dicaffeoylquinic acids allows for efficient discrimination from their trans isomers during ultra-high-performance liquid chromatography/quadrupole time-of-flight mass spectrometry.
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- Rapid Communications in Mass Spectrometry: RCM, 2016, v. 30, n. 8, p. 1011, doi. 10.1002/rcm.7526
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The Effect of Geometrical Isomerism of 3,5-Dicaffeoylquinic Acid on Its Binding Affinity to HIV-Integrase Enzyme: A Molecular Docking Study.
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- Evidence-based Complementary & Alternative Medicine (eCAM), 2016, v. 2016, p. 1, doi. 10.1155/2016/4138263
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