Thabassum A Nattikallungal

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Questions related from Thabassum A Nattikallungal

Noncovalent interaction scatter plot using gnuplot?

The RDG scatter plots for a noncovalent interaction is saved in .txt file using multiwfn. And the same .txt along with RDGscatter.gnu moved into the gnuplot/bin folder. But when I give command...

19 February 2021 2,177 0 View

What if the noncovalent interaction (NCI) analysis plot doesnt show a proper isosurface for a strong hydrogen bonded complex (distance = 1.55 A)?

one of our hydrogen bonded complex doesn't have proper isosurface region around the hydrogen bond site. The perti. complex have a strong hydrogen bonding interaction which is observed in values of...

28 January 2021 6,564 4 View