Daniel Powell

3 Questions 6 Answers 0 Followers

Questions related from Daniel Powell

How to prevent R-NH3 from deprotonating during a gaussian calculation?

I am trying to do an opt+freq calculation with DFT using b3lyp/6-311g(2d,p) in order to calculate the HOMO/LUMO energies on the molecule shown below; a napthalene diimide (NDI) and two...

05 October 2020 870 4 View

Why do some organic radicals have quenched photo-luminescence?

I have seen a number of publications state that organic radicals often exhibit quenched photo-luminescence, yet offer no explanation as to why. Can someone offer a physical explanation as to why...

17 February 2020 758 2 View

RT standards for quantitative EPR?

I am doing quantitative EPR on some organic radicals and I need to find an appropriate standard. For experimental design reasons I'd rather not get into, suffice it to say that I need to use a...

12 February 2018 5,003 7 View