Ajay Khanna

2 Questions 37 Answers 0 Followers

Questions related from Ajay Khanna

Hello Everyone, Can you please answer this? Why Computed/Theoretical UV-Visible Spectra are much broader than the experimental ones?

I recently computed an Absorption and Emission Spectra of AlexaFluor fluorescent Dyes (AF-488 & 594) using TD-DFT/B3LYP/6-31+g(d,p)/DMSO/IEFPCM-Solvent Model. I also tried with CAM-B3LYP but the...

28 May 2018 2,746 12 View

Can Anyone Tell Me how to calculate lattice vectors for any element?

I need lattice vector for k-points used for band-structure calculations in Siesta.

29 December 2016 8,576 4 View