Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
You are not logged in.
Pages: 1
Hello,
I'm having a problem with the dipole moments of my systems (those made up of a polymer and a drug in an anion, since they're in water). Using Orca version 5.0.1 optimization, I'm getting lower values than those calculated by Multiwfn. What causes this difference?
Pages: 1