How to draw molecular orbitals?

User b03961bdc2

17-08-2007 14:55:08

Hey,





I think it's a very simple question, but I'm messed up searching through the help sites or the program options ... How do I draw molecular orbitals, for example the sp2 and pz orbitals of benzene?





Thanks for help!

ChemAxon efa1591b5a

17-08-2007 15:08:19

Hi,





MarvinSpace cannot draw (calculate) orbitals. Though it can visualize them if those are calculated by another application, for instance by Gaussian. MarvinSpace can import Gaussian CUBE files...


Is this approach suitable for you?





HTH


Miklos

User b03961bdc2

17-08-2007 17:04:12

Oh, allright. Thought Marvin would be able to do that on its own. Thanks for the hint!





Would you also tell me if there is free software available which can calculate orbitals and MarvinSpace can work with? As far as I can see, Gaussian's pricing is ... well, high ;)

ChemAxon efa1591b5a

22-08-2007 14:50:10

Marvin? What do you mean? did you discover a feature not known to me..?! Can you post a screenshot?


Gaussian is well... yes... pricy.





m.

ChemAxon efa1591b5a

07-09-2007 08:53:53

but seriously, how can marvin calculate orbitals? please tell me more in order to better respond to your inquiry.





thanks


miklos

User b03961bdc2

02-10-2007 21:57:53

Oh well, I think there was a misunderstanding. I would also like to know when there's an option to do that - I didn't find any ;)





Sorry for the late answer!