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Tuning charge transfer states in the G-octet-metal ion complexes for the potential nanotechnological applications
(Institute of Technical Sciences of SASA, 2019)
Here we study G-octet-metal ion complexes (M-G8) which act as models for the G-quadruplex supramolecular arrangement within DNA. We used DFT based molecular dynamics (BLYP-D3/DZVP+PW+GTH) for the configuration sampling ...
Influence of the metal ions on the charge transfer states in the G-octet-metal ion complexes
(Serbian Chemical Society, 2019)
In this work, we study G-octet-metal ion complexes which act as models for the G-quadruplex supramolecular arrangement within DNA. We used DFT based molecular dynamics (BLYP-D3/DZVP+PW+GTH) for configuration sampling ...