Behaviours of antiviral Oseltamivir in different media: DFT and SQMFF calculations
Vakili, Mohammad, Romano, Elida, Darugar, Vahidreza, Brandán, Silvia Antonia
Published in Journal of molecular modeling (01.12.2021)
Published in Journal of molecular modeling (01.12.2021)
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Journal Article
A complete characterization of the vibrational spectra of sucrose
Brizuela, Alicia Beatriz, Bichara, Laura Cecilia, Romano, Elida, Yurquina, Alisia, Locatelli, Silvano, Brandán, Silvia Antonia
Published in Carbohydrate research (01.11.2012)
Published in Carbohydrate research (01.11.2012)
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Journal Article
An experimental study of the structural and vibrational properties of sesquiterpene lactone cnicin using FT-IR, FT-Raman, UV–visible and NMR spectroscopies
Chain, Fernando, Romano, Elida, Leyton, Patricio, Paipa, Carolina, Catalán, César Atilio Nazareno, Fortuna, Mario Antonio, Brandán, Silvia Antonia
Published in Journal of molecular structure (22.05.2014)
Published in Journal of molecular structure (22.05.2014)
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Journal Article
Experimental and computational analysis of N-methylcytisine alkaloid in solution and prediction of biological activity by docking calculations
Alvarez Escalada, Fanny C., Romano, Elida, Brandán, Silvia Antonia, Ledesma, Ana E.
Published in Molecular physics (01.02.2022)
Published in Molecular physics (01.02.2022)
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Journal Article
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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Journal Article
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
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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Journal Article
Experimental and theoretical vibrational investigation on the saccharinate ion in aqueous solution
Brizuela, Alicia, Romano, Elida, Yurquina, Alisia, Locatelli, Silvano, Brandán, Silvia Antonia
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.09.2012)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.09.2012)
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Journal Article
A structural and vibrational study on the first condensed borosulfate K5[B(SO4)4] by using the FTIR–Raman spectra and DFT calculations
Höppe, Henning Alfred, Kazmierczak, Karolina, Romano, Elida, Brandán, Silvia Antonia
Published in Journal of molecular structure (10.04.2013)
Published in Journal of molecular structure (10.04.2013)
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Journal Article
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
A complete assignment of the vibrational spectra of sucrose in aqueous medium based on the SQM methodology and SCRF calculations
Brizuela, Alicia Beatriz, Castillo, María Victoria, Raschi, Ana Beatriz, Davies, Lilian, Romano, Elida, Brandán, Silvia Antonia
Published in Carbohydrate research (31.03.2014)
Published in Carbohydrate research (31.03.2014)
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Journal Article
An experimental and theoretical study on the hydration in aqueous medium of the antihypertensive agent tolazoline hydrochloride
Romano, Elida, Brizuela, Alicia Beatriz, Guzzetti, Karina Andrea, Brandán, Silvia Antonia
Published in Journal of molecular structure (10.04.2013)
Published in Journal of molecular structure (10.04.2013)
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Journal Article
Physicochemical properties of the antihypertensive agent 2-benzylimidazoline in aqueous and physiological solutions at 25 and 37°C
Romano, Elida, Castillo, María Victoria, Márquez, María Belén, Gramajo, Mónica Beatriz, Brandán, Silvia Antonia
Published in Journal of molecular liquids (01.08.2014)
Published in Journal of molecular liquids (01.08.2014)
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Journal Article