Aditi Chatterjee

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Questions related from Aditi Chatterjee

What to do for Error termination via Lnk1e in /share/apps/gaussian/g16/l502.exe, for Ce through B3LYP/SDD?

I am trying for the structure optimization via Gaussian16 DFT calculation, for a system consisting of C,H, N, O and Ce atoms. Where I am using B3LYP/ 6,311G(d,p) C, H, N and O and B3LYP/SDD for...

01 July 2024 9,943 4 View

What basis set/basis sets will be useful for DFT (using Gaussian16) of cerium ion adsorption?

25 June 2024 6,797 3 View

Does silica have the capacity to reduce electron hole recombination of any photo catalyst composite?

Some researchers are dealing with silica supported/embided photo catalyst, does silica reduce electron hole recombination or reduce band gap?

16 June 2020 6,597 1 View

How to determine the pore shape from a N adsorption desorption test?

how to determine the pore shapes by nitrogen adsorption desorption test for any solid powder or clay?

20 January 2017 7,821 3 View