Data pubblicazione: Apr 23, 2012 1:26:15 PM
An interesting article about CO releasing molecules has been accepted in "Chemistry, a european journal". It is the first time I deal with static calculation using Gaussian and I must say that it was really interesting. Much can be done with these tools. For example here we studied some molecules and how they liberate CO. It is not that easy since transition metal at the center is rather critical and should be treated with a certain care, and their chemistry is really interesting. More than this, this was a real effort from VIkram Vummaleti who will defend his PhD thesis with this. Well done!