
28 Nov
2023
28 Nov
'23
1:01 p.m.
Hi Tony, thank you for you reply. This would be a very useful option in the context of ECD and CPL calculations. I look forward to it. Another option I may suggest is the possibility to add manual populations or relative energies when averaging a UV or ECD spectrum. The option to select a different file is nice indeed, but sometimes one has populations from a different software or even from experiment (e.g. NMR) or may want to try the effect of different populations on the average spectra. Thanks a lot Rino