[sybylFire]

Hi,
I am looking for an advice or a suggestion.

The current situation is as follows: Master Degree in Chemistry (computation chemistry, surface analysis, adsorption etc) then due to monetary reasons, switched to commercial programming (not science related). Now in full blow mid-life crisis   trying to justify one’s purpose and looking for continuation of science career at any level. I would love to do PhD but it looks out of the question due to family, kids etc., so whatever I can do is either must be on-line or in free time.

The only thing that I come up, that might easy the pain, is to pick a fairly large theoretical problem/subject in computational chemistry and start to work on it.

What would you suggest in my situation?

[Borek]

Do you have any reasonably good University close by? One that you can visit and talk with the chem staff? Perhaps they are doing something interesting? I don't think you will be able to work alone, some contact/guidance will be necessary.

[San Yad]

I am just wondering which basis set should I use for organometallic compounds for example Pr compounds). I used Standard basis: 3-21G (6D, 7F) for Pr compound But unfortunately it reflects in output file that  3-21G basis sets are only available up to Xe. I also tried 6-31 * . it says that it is out of reach.

Please help me which basis set should I use for Pr compound. Thanks

Rgds,
San