Each year the Mexican community who works in the realm of computational and theoretical chemistry gathers to share the most recent work done around our country. This year, I tried to live Tweet the event and although I failed miserably in doing so -as well as in convincing others to join me- I’m trying to put together the things that caught my attention. I also tried to Storify it but I cannot embed the result here in WordPress.
María Eugenia “Maru” Sandoval just came back from a short stay in Spain where she worked with Prof. David Casanova on Singlet Fission theory applied to her work on photosynthesis. Here work was presented as a poster although we would have preferred she gave a talk.
Also, Guillermo “Memo” Caballero presented his recent developments in reaction mechanisms. 
Below there is a list of Tweets from the conference. If you are interested in any of these items please contact me for further information, or just, you know, google the people mentioned in each Tweet, it shouldn’t be too hard.
G. Merino et al. Degenerate carbocations account for automerization for bi-tri-cyclic C cmpds. #mechanisms #RMFQT15 #CompChem
— Joaquin Barroso (@joaquinbarroso) November 20, 2015
//platform.twitter.com/widgets.js
Calculating Redox potentials with DFT. Carlos Amador-UNAM wB97XD/sdd cc-pvtz. Best LOT for Born Haber cycle 4 Ferrocene #RMFQT15 #CompChem
— Joaquin Barroso (@joaquinbarroso) November 19, 2015
//platform.twitter.com/widgets.js
Of course when you have a large meeting with so many people working with and on Density Functional Theory (DFT) you know that Perdew’s suggested ‘Jacob’s ladder’ of functional quality for chemical accuracy is bound to show up a few times.
I actually wrote a post that gravitates around this issue but using figurative painting as an analogue. You may find it here
Jacobs ladder showed up quite late this year at the #RMFQT15 check new PBE modifications by Crisostomo from @Cinvestav_IPN wait 4 the paper
— Joaquin Barroso (@joaquinbarroso) November 19, 2015
//platform.twitter.com/widgets.js
Jacobs ladder showed up quite late this year at the #RMFQT15 check new PBE modifications by Crisostomo from @Cinvestav_IPN wait 4 the paper
— Joaquin Barroso (@joaquinbarroso) November 19, 2015
//platform.twitter.com/widgets.js
non requested advice 2 young Comp.Chem.students:don’t waste skills on over studied systems. methods r the same 4 old&new reactions. #RMFQT15
— Joaquin Barroso (@joaquinbarroso) November 19, 2015
//platform.twitter.com/widgets.js
Ramiro Quijano. Yucatán U. Study antraquinones. tautomerization of quinones. In Drug Design Tautomers matter #RMFQT15
— Joaquin Barroso (@joaquinbarroso) November 19, 2015
//platform.twitter.com/widgets.js
Instituto Tecnológico de Tlanepantla. Pt=Sn for EtOH cracking. Why is Mulliken still a thing? #RMFQT15 #CompChem #CannotLiveTweet
— Joaquin Barroso (@joaquinbarroso) November 19, 2015
//platform.twitter.com/widgets.js
That is Pt “double bond” Sn. By no means I’m equating platinum to tin. No sir. Mulliken’s population analysis should not even been brought up anymore, should it?
A very thorough investigation of CH4 water clatrates. Will be a great paper! Rubicelia Vargas & Jorge Garza from UAM #RMFQT15
— Joaquin Barroso (@joaquinbarroso) November 19, 2015
//platform.twitter.com/widgets.js
Clatrates. Non-covalent interaction index. CH4 is weakly bound by water when forced inside the cage – Rubicelia Vargas #RMFQT15 #CompChem
— Joaquin Barroso (@joaquinbarroso) November 19, 2015
//platform.twitter.com/widgets.js
If there is water and ice on Mars then most definitely should be clathrates. (Please excuse the misspelling throughout, though.)
Clatrates in Mars? Stochastic map of water around CH4 2.5m structures only a 303 cages – Rubicelia Vargas UAM #RMFQT15 #CompChem
— Joaquin Barroso (@joaquinbarroso) November 19, 2015
//platform.twitter.com/widgets.js
The rest are the previous announcements which were aimed to generate the momentum for the live tweeting thing.
Mexican Drs. [Alberto Vela, JL Gazquez, M. galvan, etc.] studied/worked with Prof. R. Parr. All 2B present at #RMFQT15 Guadalajara next week
— Joaquin Barroso (@joaquinbarroso) November 16, 2015
//platform.twitter.com/widgets.js
Next week: Mexican Meeting on Theoretical Physical Chemistry. Follow the #CompChem work in Mexico through #RMFQT15. Will live tweet
— Joaquin Barroso (@joaquinbarroso) November 16, 2015
//platform.twitter.com/widgets.js
“Not!”
I hope I can make this a thing next year during the 15th edition of RMFQT. I had the honor to be the first speaker and I will upload my presentation soon.
Dr. Joaquin Barroso's Blog 