Search Results - "Minaeva, V.A."
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Identification of tautomeric intermediates of a novel thiazolylazonaphthol dye – A density functional theory study
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05-10-2018)“…The recently synthesized thiazolylazo dye, 1-[5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalene-2-ol called shortly BnTAN, is studied by density functional theory…”
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Raman spectre of tetraoxa[8]circulenes. p-dinapthhalendiphenylenotetrafuran and its tetraalkyl derivatives
Published in Journal of applied spectroscopy (01-11-2012)“…The equilibrium molecular geometry, harmonic vibrational frequencies, and Raman band intensities were calculated by the density functional theory B3LYP method…”
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Absolute effective cross sections of ionization of adenine and guanine molecules by electron impact
Published in Technical physics (01-10-2015)“…Effective cross sections of the formation of positive ions of nitrous nucleic acids of adenine and guanine are determined by the crossed electron and molecular…”
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Theoretical study of the dimerization of rhodanine in various tautomeric forms
Published in Chemistry of heterocyclic compounds (New York, N.Y. 1965) (2012)“…The density functional theory (DFT) was used to calculate the relative stability of rhodanine dimers and the energy of intermolecular interaction in them…”
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Surface-enhanced infrared spectroscopy for cortisol analysis
Published in 2018 International Conference Laser Optics (ICLO) (01-06-2018)“…The method of nanostructuring metal surfaces by means of nanolithography was optimized and Au nanoantenna arrays with the controllable parameters on the Si…”
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