Gerard Comas (@gerardcomas7) 's Twitter Profile
Gerard Comas

@gerardcomas7

PhD student in computational chemistry at IQCC

ID: 3341124159

calendar_today22-06-2015 12:05:42

3,3K Tweet

162 Followers

654 Following

Gerard Comas (@gerardcomas7) 's Twitter Profile Photo

What a way to finish the week! Very happy to receive a poster prize at @DFT2022BXL. Many thanks to all organizers for such a nice congress!

What a way to finish the week! Very happy to receive a poster prize at @DFT2022BXL. Many thanks to all organizers for such a nice congress!
Gerard Comas (@gerardcomas7) 's Twitter Profile Photo

Here, we present our poster for the @CBOND2022online. A theoretical study of the oxidation states in the OEC in collaboration with @MariaDrosou9, Dimitrios A. Pantazis, and Pedro Salvador. #CBOND2022poster

Here, we present our poster for the @CBOND2022online. A theoretical study of the oxidation states in the OEC in collaboration with @MariaDrosou9, <a href="/D_A_Pantazis/">Dimitrios A. Pantazis</a>, and <a href="/pesalse/">Pedro Salvador</a>. #CBOND2022poster
Gerard Comas (@gerardcomas7) 's Twitter Profile Photo

I am thrilled to share that our most recent work with Oxidation States in the OEC has been accepted in J. Am. Chem. Soc.. Many thanks to everyone involved: Maria Drosou, Pedro Salvador, Dimitrios A. Pantazis and F. Neese. pubs.acs.org/doi/10.1021/ja…

J. Am. Chem. Soc. (@j_a_c_s) 's Twitter Profile Photo

Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex? Universitat de Girona Dimitrios A. Pantazis Maria Drosou Pedro Salvador #Femtosecond #Crystallography #Oxygen #Complex #StateSpecific #Catalysis pubs.acs.org/doi/10.1021/ja…

IQCC UdG (@iqccudg) 's Twitter Profile Photo

Check our latest work about Femtosecond Crystallography and Catalytic Intermediates of the OEC by  Gerard Comas  Pedro Salvador in collaboration with @MariaDrosou9 F. Neese Dimitrios A. Pantazis Max Planck Society in J. Am. Chem. Soc. #newpaper #openaccess UdG Recerca TCBioSys iqcc.udg.edu/wordpress/2023…

Check our latest work about Femtosecond Crystallography and Catalytic Intermediates of the OEC by  <a href="/gerardcomas7/">Gerard Comas</a>  <a href="/pesalse/">Pedro Salvador</a> in collaboration with @MariaDrosou9 F. Neese <a href="/D_A_Pantazis/">Dimitrios A. Pantazis</a> <a href="/maxplanckpress/">Max Planck Society</a> in <a href="/J_A_C_S/">J. Am. Chem. Soc.</a>
#newpaper #openaccess
<a href="/UdGRecerca/">UdG Recerca</a> <a href="/TCBioSys/">TCBioSys</a>

iqcc.udg.edu/wordpress/2023…
Jornades Predoctorals UdG (@jodoc_udg) 's Twitter Profile Photo

"Does serial femtosecond crystallography depict state-specific catalytic intermediates of the oxygen-evolving complex?". Gerard Comas i Vilà

"Does serial femtosecond crystallography depict state-specific catalytic intermediates of the oxygen-evolving complex?". Gerard Comas i Vilà
Gerard Comas (@gerardcomas7) 's Twitter Profile Photo

I am thrilled to share that our work on Quantification of the Donor‐Acceptor Character of Ligands has been published Pedro Salvador …mistry-europe.onlinelibrary.wiley.com/doi/10.1002/cp…

Appu D (@appu_iitk) 's Twitter Profile Photo

In our latest work J. Am. Chem. Soc., we have developed the closest structural mimic of the OEC of PS-II. Huge thanks to Tim for the incredible collaboration and to the students Dr. Sikha Gupta, Pragya Arora, and Dr. Baghendra Singh for their outstanding execution! pubs.acs.org/doi/10.1021/ja…

Atlético de Madrid (@atleti) 's Twitter Profile Photo

La maquinaria lleva varias semanas en marcha y tritura todo lo que se pone en su camino. A ver quién es el valiente que imparte justicia sabiendo que puede ser el próximo... #StopAcosoArbitralYa @RFEF CTA LALIGA CSD

La maquinaria lleva varias semanas en marcha y tritura todo lo que se pone en su camino. A ver quién es el valiente que imparte justicia sabiendo que puede ser el próximo... #StopAcosoArbitralYa 

@RFEF <a href="/CTARFEF/">CTA</a> <a href="/LaLiga/">LALIGA</a> <a href="/deportegob/">CSD</a>
Gerard Comas (@gerardcomas7) 's Twitter Profile Photo

I'm really happy to see our progress in capturing the electronic substituent effect using effective atomic orbitals published in PCCP. Pedro Salvador pubs.rsc.org/en/Content/Art…

Chemistry World (@chemistryworld) 's Twitter Profile Photo

By linking electronic structure to inductive and resonance effects, a new framework can help quantify inductive and resonance effects exerted by substituents in aromatic systems, letting chemists more accurately predict Hammett parameters. chemistryworld.com/news/bridging-…

Ken Lo (@bhkenlo) 's Twitter Profile Photo

Rationalizing Spin-Crossover Properties of Substituted Fe (II) Complexes | Inorganic Chemistry pubs.acs.org/doi/10.1021/ac… Comas-Vilà and Salvador Inorganic Chemistry #iron #SCO #DFT #EFOs #effAOs #EDGs

Rationalizing Spin-Crossover Properties of Substituted Fe (II) Complexes | Inorganic Chemistry pubs.acs.org/doi/10.1021/ac… 
Comas-Vilà and Salvador <a href="/InorgChem/">Inorganic Chemistry</a> #iron #SCO #DFT #EFOs #effAOs #EDGs