Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#1 Multiwfn and wavefunction analysis » Missing bond critical point between Cu atom and Hydrogen » 2024-09-07 06:37:40

gopendra
Replies: 1

The bond critical point is missing between the heavy Cu atom and hydrogen after changing several parameters. What can be reason and how to solve to get desired BCP (3,-1)?

Board footer

Powered by FluxBB