Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn. E-mail of admin: sobereva[at]sina.com
You are not logged in.
Pages: 1
What are the steps to follow to plot the emission spectrum of a molecule by using TD DFT offered by Gaussian software.
Thank you for the clarifications.
Hi
I have calculated the Fukui functions of phenol which are in the examples and when I have compared the hirshfeld charges which are in the CDFT.txt file generated by Multiwfn with those calculated by Gaussian 09, I found that these values are not the same. Can I know why?
Pages: 1