Hückel analysis

User 870ab5b546

06-01-2010 13:14:55

The ability to calculate atomic partial charges in MarvinSketch and display the results in MarvinSpace is a GREAT teaching tool.  

It should be possible to do the same for MO calculations, at least for Hückel calculations, preferably for more sophisticated MO calculations as well.  

Any plans to do this?

User 25d107bd42

06-01-2010 14:49:43

Hi, oh yes, this would be super !!!

Regards, Hans-Ulrich

ChemAxon e08c317633

07-01-2010 15:14:26

Good idea! We will implement it.