Just did this experiment and am still trying to interpret my results.
@kim83354 жыл бұрын
Hi! Thanks for the good information about NMR. But i have a question about TMS. TMS is put in to be a signal at the chart zero in nmr, right? I know that a very small amount of TMS is added when manufacturing reagents. Should the number of moles of TMS be considered when calculation the more fraction?
@jaredmoss81706 жыл бұрын
These computational methods are "DFT", not "ab initio". B3LYP is a hybrid model.