potential energy of interaction using DFT !!

From NWChem

You are viewing a single post from the thread title above
Jump to: navigation, search

Click here for full thread
Clicked A Few Times
Threads 6
Posts 13
0.00226 Hartree = 1.42 kcal/mol, so sounds consistent to me.


Who's here now Members 0 Guests 0 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC