Pavan Gutti

3 Questions 1 Answers 0 Followers

Questions related from Pavan Gutti

Why does the chloride atom move far away from Mg in Gaussian DFT calculations and how can it be prevented ?

Hi all I am doing DFT studies of some Mg complexes using Gaussian software, but in the calculations, the chloride atom (down one in the given image) moves far from Mg, actually, the Mg-Cl bond...

01 January 2023 5,661 6 View

Is Ser/Thr protein kinase transmembrane protein ?

Is Ser/Thr protein kinase transmembrane protein in S.aureus ?

27 July 2022 4,873 2 View

Doubt on wiberg_bond_indices analysis?

Hi all, here I have doubt on interpretation of #wiberg_bond_indices, I have Ni (coordination compound ), Ca(ionic compounds) complexes WBI values . Imp : In the above compounds both ligands are...

14 May 2022 4,118 0 View