2 Questions 1 Answers 0 Followers
Questions related from Dimitris K. Zaouris
I tried to calculate an NMR spectrum of an optimized geometry using DFT/b3lyp. I only used the keyword NMR. I did get the chemical shifts but there was no information about the intensity of each...
25 June 2014 5,055 5 View
Can anyone suggest the best way to characterise a self-assembled monolayer (SAM), grown on a gold surface?
19 November 2013 394 5 View
