YES! I have an optimized geometry. And the frequency calculation to prove it.
I have a nanomaterials final this Thursday and right now, I don't care - it's time to celebrate! *Bounces around the room*
Seriously if I am on the street right now I will probably start hugging random people.
Yay! Optimized structure! Wheeeeeeeeeeeeeeeeeeee!
Actually, I had a convergent structure on Tuesday (March 31st), but as one of the professors who helped me out said - I'll believe it when I see the frequency calculation.
Well the frequency calculation got cut off because I ran out of space (stupid space quota on campus computers). But the log file has enough information. No imaginary frequencies - therefore a minimum. Well, well!
I feel all vindicated. And very pleased.
Sure, my molecule (ferriin) is nothing new, nothing groundbreaking, and definitely does not constitute original research (someone else did it already, in much greater detail, and with a better basis set to boot). But it's a heady feeling all the same. If this is what real research is like - I want in.
Sure, I spent so much time on this that I am behind in most of my other courses.
Sure, nobody cares but me, anyway.
At this point, none of that matters. Because the computation worked. That's good enough. More than good enough.
Tuesday, April 7, 2009
Open a bottle of drug-of-choice and let's celebrate!
Subscribe to:
Post Comments (Atom)
2 comments:
real research is doing those calculations that don't work all the time
or, um, doing reactions that don't work all the time :)
Post a Comment