showing 2 related works from this author
Contributions to the application of the transferability principle and the multipolar modeling of H atoms: electron-density study of L-histidinium dih…
2006
The electron density of L-histidinium dihydrogen orthophosphate orthophosphoric acid has been determined from X-ray and neutron diffraction data at low temperature (120 K). Topological analysis of the electron density has been used to analyse the effect of the multipolar refinement strategy on the electron-density model in the hydrogen-bonding regions. The electron density at low temperature has also been used to acquire high-quality experimental thermal parameters at room temperature using the transferability principle. Molecular vibrations, TLS and normal mode analysis are discussed and studied at both temperatures.
Evaluation of Rhodamine B Photocatalytic Degradation over BaTiO
2021
This research was funded by UIDB/50006/2020 with funding from FCT/MCTES through national funds and from the Institute of General and Ecological Chemistry of Lodz University of Technology. Susana L.H. Rebelo and Iwona Kuźniarska-Biernacka thank FCT (Fundação para a Ciência e Tecnologia) for funding through program DL 57/2016–Norma transitória (RE-QUIMTE/EEC2018/30 (SLHR) and REQUIMTE/EEC2018/14 (IKB)).