Brett McGuire
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brettmcguire.bsky.social
Brett McGuire
@brettmcguire.bsky.social
Asst Prof of Chemistry @MIT. Professional astrochemist, spectroscopist, radio astronomer. Amateur photographer, dungeon master, cook, jogger. He/him/his.
Thanks!
November 16, 2025 at 5:58 PM
Hey there! I'm an astrochemist at MIT (chemistry.mit.edu/profile/bret...). The chem mod doesn't so active these days, but I guess you'd cover astrophysics? Any chance you could add me and my podcast account? (@astrochemcoffee.bsky.social)? Thanks!
Brett McGuire – MIT Department of Chemistry
chemistry.mit.edu
November 16, 2025 at 1:26 PM
Hi there! I'm a professor in the MIT Chemistry Department (chemistry.mit.edu/profile/bret...). I also run a monthly astrochemistry podcast (astrochemcoffee.bsky.social) - it'd be great for that account to be able to occasionally post as well? No problem if not!
Brett McGuire – MIT Department of Chemistry
chemistry.mit.edu
November 11, 2025 at 4:38 PM
The energies/geometries these give aren't necessarily as good as the 'gold standard' ones, but Kelvin narrowed in on which ones give the best rotational constants specifically, quite well.
October 6, 2023 at 5:02 PM
Ha! Well, can never completely blame the user if B3LYP gets it wrong ... DFT is sneaky that way.

What about having them use the recommended best theory/basis set from Kelvin's paper? pubs.acs.org/doi/10.1021/...

There's a recommendation for best low-cost.
October 6, 2023 at 5:01 PM
I'm even in the National Radio Quiet Zone at Green Bank - so I didn't see it until I found a hardwire connection with my coffee and couldn't sort out if I was still dreaming or not!
October 4, 2023 at 11:48 PM
According to the MIT News article, his first plan of the day is his 9 a.m. class =). Sounds about right!
October 4, 2023 at 12:22 PM
We also take a look at a number of related species, and discuss their -CN related chemical pathways (a speciality of co-author Ilsa Cooke!)
September 27, 2023 at 2:25 PM