The dataset contains the spreadsheets, hi-resolution images and raw research data associated with our paper: 'Floquet Hamiltonian for incorporating electronic excitation by a laser pulse into simulati
An E unsaturated fumaramide linkage may be introduced into Aib peptide foldamer structures by standard coupling methods and photoisomerized to its Z (maleamide) isomer by irradiation with UV light. As
Data associated with the paper entitled On application of Deep Learning to simplified quantum-classical dynamics in electronically excited states Three TD-DFTB datasets (sX_10_force.db) have b
Two new pyranocoumarins were synthesized via one-pot, microwave-assisted pseudo multicomponent condensations of coumarin and 4-methylquinoline to investigate their molecular switching properties. Both
