Dr. Srikanta Karmakar

3 Questions 9 Answers 0 Followers

Questions related from Dr. Srikanta Karmakar

What is the reason for spin inversion in phosphorescence emission ?

When a phosphorescence emission occurs, Singlet spin state is converted to triplet spin state and when it comes to ground state after phosphorescence emission of energy it again in singlet...

07 September 2015 2,476 5 View

How do we correlate the DFT calculated energies/ oscillator strength with the observed experimental absorption spectra?

We obtain DFT calculated Absorption spectra. How we correlate it with the experimental spectra and what is the significance oscillator strength in calculated spectra.

04 September 2015 4,005 4 View

How do you calculate the ESP surface of a negative or positive charged species in ground state and excited state using DFT and TD-DFT method in G09?

I only able to calculate ESP surface in neutral state of a molecule...

11 September 2014 9,306 10 View