Vibrational assignments of cyclic dimers and inter-monomers of adenine relating FT-IR, FT-Raman and UV spectra with SQMFF and DFT calculations
Cataldo, Pablo G., Iramain, Maximiliano A., Castillo, María V., Manzur, María E., Romano, Elida, Brandán, Silvia Antonia
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.02.2024)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.02.2024)
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Synthesis, X-Ray, Spectral Characterization, DFT, and Molecular Docking Calculations of 2-(5-Nitro-1-H-Indazol-1-yl) Acetic Acid
El Hafi, Mohamed, Boulhaoua, Mohammed, Lahmidi, Sanae, Anouar, El Hassane, Abad, Nadeem, El Ghayati, Lhoussaine, Mague, Joel T., Castillo, María V., Brandán, Silvia Antonia, Essassi, El Mokhtar
Published in Polycyclic aromatic compounds (13.09.2024)
Published in Polycyclic aromatic compounds (13.09.2024)
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A complete vibrational study on a potential environmental toxicant agent, the 3,3′,4,4′-tetrachloroazobenzene combining the FTIR, FTRaman, UV–Visible and NMR spectroscopies with DFT calculations
Castillo, María V., Pergomet, Jorgelina L., Carnavale, Gustavo A., Davies, Lilian, Zinczuk, Juan, Brandán, Silvia A.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.01.2015)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (05.01.2015)
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A new experimental and theoretical investigation on the structures of aminoethyl phosphonic acid in aqueous medium based on the vibrational spectra and DFT calculations
Roldán, María L., Ledesma, Ana E., Raschi, Ana B., Castillo, María V., Romano, Elida, Brandán, Silvia A.
Published in Journal of molecular structure (10.06.2013)
Published in Journal of molecular structure (10.06.2013)
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Analysis of the structure and the FT-IR and Raman spectra of 2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one. Comparisons with the chlorinated and methylated derivatives
Castillo, María V., Rudyk, Roxana A., Davies, Lilian, Brandán, Silvia Antonia
Published in Journal of molecular structure (15.07.2017)
Published in Journal of molecular structure (15.07.2017)
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Identification of cholesterol in different media by using the FT-IR, FT-Raman and UV–visible spectra combined with DFT calculations
Romano, Elida, Cataldo, Pablo G., Iramain, Maximiliano A., Castillo, María V., Manzur, María E., Antonia Brandán, Silvia
Published in Journal of molecular liquids (01.06.2024)
Published in Journal of molecular liquids (01.06.2024)
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Evaluation of the structural properties of powerful pesticide dieldrin in different media and their complete vibrational assignment
Castillo, María V., Iramain, Maximiliano A., Davies, Lilian, Manzur, María E., Brandán, Silvia Antonia
Published in Journal of molecular structure (15.02.2018)
Published in Journal of molecular structure (15.02.2018)
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FTIR, FTRaman, UV–Visible and NMR spectroscopic studies on 3,3′,4,4′-tetrachloroazoxybenzene, an azoxybenzene derivative with toxic effects
Castillo, María V., Pergomet, Jorgelina L., Carnavale, Gustavo A., Davies, Lilian, Zinczuk, Juan, Brandán, Silvia Antonia
Published in Journal of molecular structure (15.08.2017)
Published in Journal of molecular structure (15.08.2017)
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Structural and vibrational investigation on species derived from the cyclamic acid in aqueous solution by using HATR and Raman spectroscopies and SCRF calculations
Brizuela, Alicia B., Raschi, Ana B., Castillo, María V., Davies, Lilian, Romano, Elida, Brandán, Silvia A.
Published in Journal of molecular structure (25.09.2014)
Published in Journal of molecular structure (25.09.2014)
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Journal Article
Las FARC y los costos del secuestro
Castillo V., María del Pilar, Balbinotto, Giácomo
Published in Revista de economía institucional (22.09.2012)
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Published in Revista de economía institucional (22.09.2012)
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Vibrational assignments of monohydrate dimer of violuric acid by using FT-IR, FT-Raman and UV spectra and DFT calculations in different media
Iramain, Maximiliano A., Cataldo, Pablo G., Guzzetti, Karina A., Castillo, María V., Manzur, María E., Romano, Elida, Antonia Brandán, Silvia
Published in Journal of molecular liquids (01.09.2024)
Published in Journal of molecular liquids (01.09.2024)
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Journal Article
Structural and SQMFF study of potent insecticide 4′,4′-DDT combining the FT-IR and FT-Raman spectra with DFT calculations
Iramain, Maximiliano A., Castillo, María V., Davies, Lilian, Manzur, María E., Brandán, Silvia Antonia
Published in Journal of molecular structure (05.01.2020)
Published in Journal of molecular structure (05.01.2020)
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Synthesis, NMR, FT-IR, FT-Raman spectra and thermal studies of Choline bis(trifluoromethylsulfonyl)imide ionic liquid combined with DFT calculations
Haddad, Boumediene, Brandán, Silvia Antonia, Castillo, María V., Touil, Aya Khadidja, Paolone, Annalisa, Fetouhi, Bekhaled, Bar, Nathalie, Villemin, Didier, Rahmouni, Mustapha, Bresson, Serge
Published in Journal of molecular structure (15.07.2024)
Published in Journal of molecular structure (15.07.2024)
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Journal Article
Structural study and vibrational assignments of FT-IR and FT-Raman spectra of powerful pesticide 2,4’-DDT. Its comparison with 4,4’-DDT
Castillo, María V., Iramain, Maximiliano A., Davies, Lilian, Manzur, María E., Brandán, Silvia Antonia
Published in Journal of molecular structure (15.03.2021)
Published in Journal of molecular structure (15.03.2021)
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Journal Article
Molecular approach of Au–Stilbene–Au and Au–TCAB–Au molecular optical electronic devices designed for organic light-sensitive circuits
Darugar, Vahidreza, Vakili, Mohammad, Heydari, Somayeh, Tahriri, Maryam, Brandán, Silvia Antonia, Castillo, Maria V.
Published in Optical and quantum electronics (25.03.2024)
Published in Optical and quantum electronics (25.03.2024)
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Journal Article
EXPERIMENTAL STUDY OF THE DIELECTRIC BEHAVIOR OF TINIDAZOLE IN ACETONE AT 25°C ESTUDIO EXPERIMENTAL DEL COMPORTAMIENTO DIELÉCTRICO DEL TINIDAZOL EN ACETONA A 25°C
María V CASTILLO, María A CHECA, María E MANZUR, Ferdinando H FERRETTI, Edgar F VARGAS, Fleming MARTÍNEZ R, Alicia YURQUINA
Published in Vitae (Medellín) (01.09.2010)
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Published in Vitae (Medellín) (01.09.2010)
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