Encontrados 3 documentos, a visualizar página 1 de 1
Biodegradable poly(ester amide)s – A remarkable opportunity for the biomedical ...
Fonseca, Ana C.; Gil, Maria H.; Simões, Pedro N.Poly(ester amide)s have emerged in the last years as an important family of biodegradable synthetic polymers. These polymers present both ester and amide linkages in their structure and they gather in the same entity the good degradability of polyesters with the good thermo-mechanical properties of polyamides. Particularly, poly(ester amide)s containing α-amino acids have risen as important materials in the bio...
Matrix-isolation FT-IR spectra and theoretical study of dimethyl sulfate
Borba, Ana; Gómez-Zavaglia, Andrea; Simões, Pedro N. N. L.; Fausto, RuiThe preferred conformations of dimethyl sulfate and their vibrational spectra were studied by matrix-isolation FT-IR spectroscopy and theoretical methods (DFT and MP2, with basis sets of different sizes, including the quadruple-zeta, aug-cc-pVQZ basis). Conformer GG (of C2 symmetry and exhibiting OSOC dihedral angles of 74.3°) was found to be the most stable conformer in both the gaseous phase and isolated in a...
Matrix Isolation FTIR Spectroscopic and Theoretical Study of Dimethyl Sulfite
Borba, Ana; Gómez-Zavaglia, Andrea; Simões, Pedro N. N. L.; Fausto, RuiThe preferred conformations of dimethyl sulfite and their vibrational spectra were studied by matrix-isolation Fourier transform infrared spectroscopy and theoretical methods (density functional theory (DFT) and MollerPlesset (MP2), with basis sets of different sizes, including the quadruple-zeta, aug-cc-pVQZ basis). Five minima were found at these levels of theory. At the MP2/6-31++G(d,p) and DFT/B3LYP/aug-cc-...
| Financiadores do RCAAP | |||||||
|
|
|
|
|
|
||