Search
Now showing items 1-2 of 2
Molecular quantum ring formed from a pi-conjugated macrocycle
(The University of Nottingham, 2020-10-14)
The electronic structure of a molecular quantum ring (stacks of 40-unit cyclic porphyrin polymers) is characterised via scanning tunnelling microscopy and scanning tunnelling spectroscopy. Our measurements access the ...
DFT data used in training MolE8 chemical ML models
(The University of Nottingham, 2021-11-09)
===============================================================
Data for paper
"MolE8: Finding DFT Potential Energy Surface Minima Values from
Force-Field Optimised Organic Molecules with New Machine
Learning ...