José J.C. Teixeira-Dias

  • The scientific area of my research is Molecular Physical Chemistry, in particular quantum chemistry and molecular spectroscopies. My main research interests have addressed a range of topics in molecular structure, such as molecular mechanics, force fields construction, conformational analysis, internal rotation, intermolecular and intramolecular interactions, hydrogen bonding, oxygen by sulfur substitution, H by D and D by H exchanges, hydration and dehydration effects. The methods used to investigate these subjects were mostly Raman and infrared spectroscopies complemented by ab initio and DFT molecular calculations, though 1H and 13C NMR, laser-induced fluorescence, absorption spectroscopy, Resonance Raman, small-angle neutron scattering (SANS) and temperature-dependence studies were used whenever appropriate and available through intra-departmental or international collaborations. The studied systems involved a large variety of compounds among which are cyclodextrins, in particular β-cyclodextrin, inclusion complexes in aqueous solutions and electrolyte effects, inclusion compounds, cyclodextrin-micelle interactions, and methylated and unsubstituted cyclodextrins. While teaching chemistry to first year science and engineering university students, my research interests have also included science education, with special emphasis on students’ questioning and its relevance on the quality of learning in chemistry. Further details on  
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Molecular Physical Chemistry – A Computer-based Approach using Mathematica® and Gaussian, Springer, 2017