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The original paper was a delicate piece of work. The reply to comment is also absolutely informative. Well done, guys. I just finished reading them! #compchem

I am thrilled to share that our most recent work with copper carbenes and pyridinium 1,4-thiolates has been accepted in Adv. Synth. & Catal.. Many thanks to everyone involved: Roger Monreal Corona, Anna Roglans, Albert Poater and A. Pla-Quintana IQCC UdG DiMoCaT_IQCC. onlinelibrary.wiley.com/doi/10.1002/ad…

📻 Avui, #DiaMundialDeLaRàdio, és bon moment per recordar la funció crucial que té aquest mitjà, particularment les emissores d’impuls popular (comunitàries, lliures, etc.), per a les llengües minoritàries i la preservació de la diversitat cultural. Au, un 🥩radiofònic

What do M&Ms and our newest paper have in common? They're both FDA approved! Check out this new work on force decomposition analysis (FDA) from Abdulrahman Dossary Martí Gimferrer Yuezhi Mao Pedro Salvador and Teresa Head-Gordon Lab (and some twitterless collaborators!)

PhD defense Martí Gimferrer (Martí Gimferrer) supervised by Pedro Salvador (Pedro Salvador) Place: Aula Magna – Facultat de Ciències Date: March 27, 2023 Time: 11.30h Escola de Doctorat de la UdG UdG Recerca Gent UdG Universitat de Girona iqcc.udg.edu/wordpress/2023…

End of a very special chapter. Thanking again my PhD supervisor Pedro Salvador for the guidance and support, and to the jury members Dr. Anna Plà-Quintana, @notherChemist and Ángel Martín Pendás for not only accepting the invitation but also for the fruitful and enjoyable discussion!!!

One of the final projects from my thesis is out! We introduced the use of IQA decomposition on each EDA term, aiming at bridging the gap between the two main real- and Hilbert-space methodologies. Sergi Danés ICCLab_Andrada Pedro Salvador JCIM & JCTC Journals JCTC Papers pubs.acs.org/doi/10.1021/ac…

I'm really happy to see that our second work involving pyridinium 1,4-thiolates and copper carbenes has been accepted in J Org Chem/Org Lett . Many thanks to everyone involved: S.C.D. Kennington, Anna Roglans and A. Pla-Quintana. IQCC UdG DiMoCaT_IQCC. pubs.acs.org/doi/10.1021/ac…

Congratulations to this beauty, who finally made it to J. Am. Chem. Soc. with a short communication! More news on her properties and some more contorted molecules hopefully soon in your favorite #Chem journals.

Force decomposition analysis (FDA), developed by Abdulrahman Dossary, Yuezhi Mao, and Martí Gimferrer (Martin Head-Gordon Group), decomposes molecular forces into physically-meaningful terms. Read the paper: bit.ly/3JYCjoD FDA is now available in Q-Chem 6.1— request a demo to try it yourself!

Re story, a puzzle of ALKYNES of Michele Tomasini, Lucia Caporaso Martí Gimferrer : pubs.acs.org/doi/full/10.10…

I am thrilled to share that our latest work on nitrile trifunctionalization using in-situ generated rhodium vinylcarbenes, has been accepted in ACS Catalysis. Roger Monreal Corona Albert Poater Miquel Solà Anna Roglans and A.Pla-Quintana. IQCC UdG DiMoCaT_IQCC pubs.acs.org/doi/10.1021/ac…

Chemical bonding characterization using APOST-3D: Official release of the code in The Journal of Chemical Physics, and runs in parallel!🥳🥳 Special thanks to Pedro Salvador for the opportunity, and all researchers involved in making it evolve. Soon more to come! pubs.aip.org/aip/jcp/articl…

I am happy to share that our paper on the first heterobimetallic dimetallocene is finally published in Nature Chemistry! nature.com/articles/s4155… Thank you to everyone who contributed, most importantly Inga Bischoff, who did the experimental work, as well as ICCLab_Andrada Sergi Danés!

Martí Gimferrer Martí Gimferrer awarded for best PhD thesis 2023 Escola de Doctorat de la UdG UdG Recerca TCBioSys Gent UdG Universitat de Girona iqcc.udg.edu/2024/07/17/mar…

Moltes gràcies!! Que canviat estic... i en només un any de postdoc, porto camisa i tot!🤣

Very happy to see this article finally accepted in Applied Surface Science! Big congratulations to the whole team across Toulouse, Seville, Göttingen, and Girona. You can access it for free for 50 days now! Laboratoire de chimie de coordination IIQ (CSIC-US) IQCC UdG DiMoCaT_IQCC sciencedirect.com/science/articl…

Our last work with the Göttingen team is online in Chemical Science! We explored the use of NEO-DFT for the computational simulation of anharmonic OH vibrational shifts, achieving surprisingly nice results at rather low computational cost 🥳 pubs.rsc.org/en/content/art…