|Mobility project no.:||NF-CZ07-MOP-3-245-2015|
|Programme:||EEA and Norway Grants – EEA Scholarship Programme; Bilateral Scholarship Programme|
Mgr. Jan Novotný, Ph.D.
prof. Kenneth Ruud, Ph.D.
Aims of the project:
- innovative lectures dealing with relativistic effects in molecular spectroscopy
- practical student courses focused on computations, analysis and visualization of spectroscopic properties by using ReSpect programme given by developers from the partner institution
- short student and staff stays in Tromsø – four-component relativistic calculations of NMR parameters for transition-metal complexes with potential antineoplastic activity
- lectures and seminars at the partner institution presenting experimental aspects of paramagnetic NMR spectroscopy of metallodrugs
Project implementation: 1.7.2015 – 30.6.2016
August 2015 – launch of the project during a visit of Czech researchers in Norway
- Kick-off meeting – strategy of project implementation.
- Lecture of researcher Jan Novotny at UiT Title of his lecture: Paramagnetic NMR spectroscopy of ruthenium metallodrugs.
- Reception of Norwegian researcher at Masaryk University.
- Lecture of researcher from UiT. Theme: Towards relativistic pNMR calculations - Part 1: g-tensor within unrestricted DFT.
- Student Stay of PhD student from MU. Purpose: learning the methodology of ReSpect program.
- Scientific seminar of Norwegian researcher at MU. Title: Molecular spectroscopy: Where theory meets experiment.
- Visit of Norwegian researchers. Purpose: Analysis and visualisation of ring currents in paramagnetic molecules using ReSpect program.
- Stay of Stanislav Komorovsky at MU, advanced analysis of A-tensor, visualization of ring currents induced by the spin-orbit interaction.
- Stay of Michal Repisky at MU, work on implementation of hybrid DFT into ReSpect, scientific seminar summarizing theoretical concepts of real-time DFT.
- Student stay of Martin Novak at UiT focused on real-time DFT calculations of spectral properties in ReSpect program.
- Stay of Radek Marek and Jan Novotny at UiT, scientific seminar of Radek Marek devoted to paramagnetic NMR of ruthenium drugs, finalisation of joint publications, discussion about potential future projects, closing organisational issues related to the mobility project.