Index  | Recent Threads  | Unanswered Threads  | Who's Active  | Guidelines  | Search
 

Quick Go »
No member browsing this thread
Thread Status: Active
Total posts in this thread: 3
[ Jump to Last Post ]
Post new Thread
Author
Previous Thread This topic has been viewed 653 times and has 2 replies Next Thread
borup
Cruncher
Joined: Nov 22, 2005
Post Count: 4
Status: Offline
Project Badges:
Reply to this Post  Reply with Quote 
Structural formula of the molecules?

Hi

I am running the clean energy project and would like to know if it's possible to get a structure of the molecules one are calculating on. So far I can only see the molecular formula from the name of the work unit. An example is ...C36H27N3O1S1Si1...

I am very interested in how the structural formula looks like, so is it possible to somehow get that for each work unit?

Regards
[Feb 20, 2016 6:48:16 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Stiwi
Advanced Cruncher
Joined: May 19, 2012
Post Count: 71
Status: Offline
Project Badges:
Reply to this Post  Reply with Quote 
Re: Structural formula of the molecules?

Maybe you get more information from the public database?
https://cepdb.molecularspace.org/
I have no account there so I don't know what information you can get from the database.
[Feb 21, 2016 1:00:57 AM]   Link   Report threatening or abusive post: please login first  Go to top 
borup
Cruncher
Joined: Nov 22, 2005
Post Count: 4
Status: Offline
Project Badges:
Reply to this Post  Reply with Quote 
Re: Structural formula of the molecules?

I have tried that but it doesn't work.
[Feb 21, 2016 11:09:17 AM]   Link   Report threatening or abusive post: please login first  Go to top 
[ Jump to Last Post ]
Post new Thread