Srimathi Parameswaran

2 Questions 3 Answers 0 Followers

Questions related from Srimathi Parameswaran

Regarding HOMO-LUMO analysis?

Hi, I have a problem while analyzing its HOMO and LUMO of the structure. Generally LUMO energy will be higher than HOMO. But I got HOMO (11.00 eV) energy is higher than LUMO (10.85), with a...

19 October 2024 2,974 4 View

Orbitals (alpha or beta) contribution in band gap?

I have one small doubt. While considering copper atom (transition metals), I get alpha and beta orbitals due to atomic number 29 and i would like to know which orbitals (alpha or beta) contribute...

31 October 2023 7,273 0 View