How to get N2 molecule orbital theoretically

Join the discussion

Registration is free. Ask a follow-up in this thread, or start your own.

1 reply · 2K views

einstein1921

How to get N2 molecule orbital theoretically with quantum chemistry program like GAUSSIAN !for example, how to get the picture attached? Thank you!

Physics news on Phys.org

DrDu

You could try to do it yourself, using e.g. Yaehmop:
http://yaehmop.sourceforge.net/
There is an example file for XeF4

Attachments