Manikumar Athan

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Questions related from Manikumar Athan

How to get suitable HOMO-LUMO transition state from TD-DFT result in gaussian 9?

First up all running the TD-DFT in gaussian 9. After running get number of excited state with oscillation strength possible and the each excited state contains number of HOMO-LUMO transition...

11 July 2022 3,735 0 View

How to Mn based metal atom parameter add to autodock?

I am a beginner at autodock. Please, help me how to Mn metal atom parameters add to the autodock.

05 October 2020 7,630 5 View