About NCI ( non covalent interaction )

01 January 1970 1 9K Report

Hi everyone.

I want to perform a NCI (non-covalent interaction) analysis from a simulation of a dye on the clay surface that I obtained using the Adsorption locator module of Material Studio software.

I would like to know more. Can anyone help me, especially as I don't know how to generate the file (from material studio) that I need to insert into multiwfn software. I would be grateful.

Massimiliano Arca

This more a comment than a reply. I tend to agree with Frank Weinhold on the use of the term NCI: Article “Noncovalent Interaction”: A Chemical Misnomer That Inhibits...

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