10:39:38 PM PST - Sat, Feb 27th 2016 |
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Hi,
I would like to use NWChem to search for conformers of organic molecules such as R-limonene in the gas phase at the density functional level of theory. I know that this isn't a built in functionality, but I was wondering if there was something I could do to make it work. Is that type of analysis at all possible with this software?
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