DiMoCaT_IQCC

DiMoCat is a research group of the @IQCCUdG formed by 2 subgroups working in organic chemistry and theoretical and computational chemistry.

[Szczepanik Research Group @szczepanikgroup]

We present ΔBDFπ, a first principles method designed to help chemists visualize and understand how π electron systems respond to structural and environmental perturbations:

https://t.co/6sz26WccPE

Congratulations, Paweł!

[DiMoCaT_IQCC @DIMOCAT_iqcc]

Our contributions to @dft2026eus conference: @JosepmLuis with an invited lecture on spurious oscillations in DFT and posters by @Iqra___Sarfraz on benzannulated biphenylenes for singlet fission, Carles Alcaide on BN-Doped [6]Helicenes for TADF, and @miquelsola on indenofluorenes.

[Eduard Matito 🎗 @eduardmatito]

PhD position in electronic-structure theory for molecular properties. Work on MR methods, DFT, nonlinear optical prop., and TM chem. across @DIMOCAT_iqcc @IQAC_CSIC @DonostiaChemDev FPI contract; start Jan-Jul 2027. Deadline 30 Nov 2026. See: https://t.co/dccPkjiW7L #compchem

[DiMoCaT_IQCC @DIMOCAT_iqcc]

Congratulations to @GibuGeorge_ on being awarded the @univgirona Extraordinary Doctoral Award in Chemistry—a remarkable achievement.🏅 Very proud of you, Gibu!

[DiMoCaT_IQCC @DIMOCAT_iqcc]

Deeply saddened by the passing of Nobel Laureate Rudolph A. Marcus. His pioneering contributions to electron transfer theory fundamentally shaped modern chemistry. We fondly remember his visit to @IQCCUdG back in 2007—an unforgettable moment for our community. Rest in peace.

[Miquel Solà @miquelsola]

Astorat pel video que ha generat NotebookLM de l'article que vàrem publicar a principis d'any amb la Maria Cabrero.
Amazed by the video that NotebookLM generated from the article we published earlier this year with Maria Cabrero (in Catalan).
https://t.co/PJDP84RkhU

[Miquel Solà @miquelsola]

El passat 28 de maig en el cicle "Últimes fronteres" organitzat per la @DiputacioGirona vaig impartir la conferència "Materials avançats: quan la química dissenya el futur" a la Casa de la Cultura de Girona. Us deixo l'enllaç. @DIMOCAT_iqcc @IQCCUdG https://t.co/lSH5Sm5WjN

[ESPA2028 @ESPAGIR2028]

After the successful ESPA 2026 held in Salamanca this week, the @IQCCUdG takes over and the next ESPA 2028 will be held in Girona from the 27th to the 30th of June, 2028. We hope you can join us. Make the reservation for these days in your agenda!

[DiMoCaT_IQCC @DIMOCAT_iqcc]

Great photo of @IQCCUdG members attending the ESPA 2026 conference in Salamanca.

[POLYMAT Spotlight @polymatsptl]

Fancy some carbon? @AntonJStasyuk

[DiMoCaT_IQCC @DIMOCAT_iqcc]

Some presentations of our group in ESPA 2026 held in Salamanca: @josepmluis on the ambimodality of TSs, @omkarjakobian on cation and anion interactions with nanographenes, @cabrero_i on the chemical bond of boracarbenes, and @miquelsola on his aromaticity tales.

[DiMoCaT_IQCC @DIMOCAT_iqcc]

Today, @miquelsola discussed the factors that influence the relative energies of the nπ* and ππ* excited states at the 6th Workshop MAGnetically Induced Currents in molecules (MAGIC) 2026 held in Glasgow. https://t.co/INkKprTY4o

[DiMoCaT_IQCC @DIMOCAT_iqcc]

Excellent talks at the XXX Reunión Bienal del GEQOR held in Gijón by the dimocatters @alarru on the quest for singlet fission candidates and @Nil_Insa on the rearrangement of biaryls via the Rh-azirine intermediate.👏👏

[Centres CERCA @iCERCA]

📢 Oberta la convocatòria de la #NitRecerCat26.
👩‍🔬 Si ets personal investigador, presenta la teva proposta d’activitat per compartir la teva ciència amb la ciutadania en aquest gran esdeveniment europeu.
🗓️ Fins al 21/6!
👉 https://t.co/MrZFfRRVOP

[ioChem-BD @ioChem_BD]

Last month's most popular iochem-BD DOIs in May were:

1⃣@BSC_CNS Pablo Garrido https://t.co/IaJvR3L8F7
2⃣@univgirona @PauBesalu https://t.co/z7EXIjC1Xz
3⃣@TheNelsonGroup: https://t.co/DGRPut13CE

[DiMoCaT_IQCC @DIMOCAT_iqcc]

Today, we had two presentations by @DIMOCAT_iqcc researchers at the 37th MathChemComp conference held in Dubrovnik. Sergei Vyboishchikov discussed new solvent models based on ML and @miquelsola presented the work of the group on indenofluorenes and hexabenzenoids.

[DiMoCaT_IQCC @DIMOCAT_iqcc]

Four of the @DIMOCAT_iqcc PhD students presented their research in the X Predoctoral Conference of the @univgirona (Joan Cabot, Maria Martinez, Raquel Parrondo, and Omkar Charapale). All of them did a great presentation! Congratulations to them! @IQCCUdG @targetchemo @JoDoc_UdG

[DiMoCaT_IQCC @DIMOCAT_iqcc]

Our article on Local Quadrupole Ellipticity as Predictor of Anion‐Affinity in Nanographenes by @omkarjakobian @AlbertPoater @SergioPosadaPz @miquelsola is now available in the Journal of Computational Chemistry.
https://t.co/zUDcK8rnvQ

[RSEQ @RSEQUIMICA]

📢 ESPA2026 & IV Meeting of the GEQC
🗓️30 de junio – 3 de julio 2026
📍 Salamanca, España
➡️https://t.co/eEm7LuMar6

[RSEQ @RSEQUIMICA]

📙Carta del editor de Nazario Martín León
“Benceno: la molécula que abrió la puerta a un universo de carbono aromático”
Descubre cómo esta estructura fundamental cambió la química moderna 🌍🧪
Publicación en Anales de Química de la RSEQ
➡️https://t.co/Ikk4iGDFy7