Hi Dan,
I, of course, am hugely interested also. Please let me know what you find out.
Cheers
Mike
--
Michael F. Crowley, Ph.D.
Center Director and Principal Scientist
Renewable Resources and Enabling Sciences Center
National Renewable Energy Laboratory
15013 Denver West Blvd, Golden, CO 80401
michael.crowley.nrel.gov
303-384-6345 – office
303-887-0149 – mobile
On 4/1/21, 7:00 AM, "Daniel Roe" <daniel.r.roe.gmail.com> wrote:
CAUTION: This email originated from outside of NREL. Do not click links or open attachments unless you recognize the sender and know the content is safe.
That looks really cool Jason!
Any chance government (.gov) users will be able to take a look at
this, or is it going to be academic (.edu) only?
-Dan
On Wed, Mar 31, 2021 at 3:38 PM Jason Swails <jason.swails.gmail.com> wrote:
>
> Hi everyone,
>
> Entos has just released a molecular visualization and exploration tool for
> free academic use with one-touch QM properties (xTB level of theory for
> now). You can get conformer generation, optimization, torsion scans, IR
> spectra and vibrational intensities, orbitals, ESPs, bond dissociation
> energies, and more. I think it could be a very effective tool for
> instruction.
>
> We'd love to get feedback at envision.entos.ai for anyone that wants to
> explore with it. You can see a more detailed description here:
> https://gcc02.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.entos.ai%2Fblog%2Fentos-envision-is-released-worldwide&data=04%7C01%7Cmichael.crowley%40nrel.gov%7C6042c27186ba424d35dc08d8f50e2793%7Ca0f29d7e28cd4f5484427885aee7c080%7C0%7C0%7C637528788463398136%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=67%2BW4%2BCnlTg0EAGbseLh2cvj0UUCGj5SNFi4RCHqjLE%3D&reserved=0
>
> I hope everyone is well!
> Jason
>
> --
> Jason M. Swails
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Received on Thu Apr 01 2021 - 08:30:04 PDT
