Multiwfn forum

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

You are not logged in.

#1 Multiwfn and wavefunction analysis » Extended Charge Decomposition Analysis » 2018-04-16 16:11:41

supreethprasad
Replies: 3

I have been performing ECDA analysis on a few systems such as FLi---NH3 and MultiWFN reports that -0.2132 electrons are being donated from NH3 à LiF. What is the significance of the (-) sign? I cannot find an explanation in the manual.

Board footer

Powered by FluxBB

Baidu
map