Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Roxana Amelia Rudyk"'
Publikováno v:
Journal of Molecular Structure. 1180:603-617
The complete vibrational assignments for the alkaloid scopolamine as free base, quaternary scopolammonium cationic and hydrobromide species were reported for first time by using the internal coordinates, the scaled quantum mechanical force field (SQM
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dd06154814b61ef886207fa18ad5ffd7
https://doi.org/10.1016/j.molstruc.2018.12.040
https://doi.org/10.1016/j.molstruc.2018.12.040
In this work, the structural, topological and vibrational properties of the monomer and three dimers of the 2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one (NPB) derivative were studied combining the experimental FTIR and FT-Raman spectra in the solid phas
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1ef7683ae0e5b7cfb361a00ef40bfa0d
https://www.sciencedirect.com/science/article/pii/S0022286016309000
https://www.sciencedirect.com/science/article/pii/S0022286016309000
Autor:
Silvia Antonia Brandán, César A.N. Catalán, Roxana Amelia Rudyk, Elida Romano, Emilio Fernando Lizarraga
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 97:202-208
Structural and vibrational properties of 4-hydroxy-3-(3-methyl-2-butenyl)acetophenone, isolated from Senecio nutans Sch. Bip. (Asteraceae) were studied by infrared and Raman spectroscopies in solid phase. The Density Functional Theory (DFT) method to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::828d3f89f12caa96343b63dfec5d5f6e
https://doi.org/10.1016/j.saa.2012.06.004
https://doi.org/10.1016/j.saa.2012.06.004
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 674:7-14
With the specific aim of explaining the dipole moment (DM) of resorcinol in water, we investigated the molecular conformations and solute–solvent interactions of resorcinol in ethanol, methanol and water. In this work, experimental dielectric proce
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6fc2f6a8b573184a2d44620325b2a825
https://doi.org/10.1016/j.theochem.2003.12.019
https://doi.org/10.1016/j.theochem.2003.12.019
A theoretical and experimental study on the structure and dipole moment of phloroglucinol in ethanol
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 673:231-238
The dipole moment and structural properties of phloroglucinol in ethanol have been investigated using experimental dielectric procedures and theoretical ab initio and density functional methods. Applying Buckingham's method, it was determined that th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ec1db782bb39293d7b90cdee04866f77
https://doi.org/10.1016/j.theochem.2003.11.050
https://doi.org/10.1016/j.theochem.2003.11.050
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 585:1-13
The solubility, dissolution rate, dipolar moment and conformational properties of flavone in ethanol have been investigated using dielectric and UV spectroscopic procedures and the AM1 method. It was determined that flavone presents a high saturation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::78c7fc9d40549a01a471e8d28e155603
https://doi.org/10.1016/s0166-1280(02)00027-1
https://doi.org/10.1016/s0166-1280(02)00027-1
Autor:
María E. Ramos, Eduardo Chamorro, María A. Checa, Roxana Amelia Rudyk, Silvia Antonia Brandán
Publikováno v:
AIP Conference Proceedings.
In the present work, a comparative study on the structural and vibrational properties of the 5-trifluoromethyluracil (TFMU) derivative with those corresponding to uracil in gas and aqueous solution phases was performed combining the available H{sup 1
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::035ee23a035befe351522accc1954be0
https://doi.org/10.1063/1.4897881
https://doi.org/10.1063/1.4897881