Concerning on my previous post "Iron(III) Hydroxide complex with Enterobactin<http://qe-forge.org/pipermail/pw_forum/2013-October/102386.html> ".
I am trying to figure out what tool should I use to prove that it would form a complex. I was considering Nudged Elastic Band method (PWneb), but that would just show me the transition, not if it would happen or not. Can anyone please point me to the right direction. What would you use if you wanted to prove this? Thank you :) -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131018/7883d2b8/attachment.html
