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The González Group 's and my take on why resonance energy transfer is possible in orthogonally arrange chromophores - against all odds. Read now in PCCP ! Thanks CataLight DFG public | @[email protected] FWF Universität Wien Vienna Scientific Cluster (VSC)

pubs.rsc.org/en/content/art…

The new version of the CREST program by Pracht and co-workers is a valuable tool to explore the low-energy molecular chemical space and provides a novel interface to ORCA (FACCTs)

#compchem #ORCAqc

pubs.aip.org/aip/jcp/articl…

Neue Moleküle fluoreszieren in allen Regenbogenfarben! 🌈
Ein Team um MaulideGroup, The González Group & Harald Sitte von der MedUni Wien, hat eine Reihe neuartiger fluoreszierender Moleküle entwickelt.
Warum diese in der Medizin & Pharmazie unverzichtbar sind ⤵
medienportal.univie.ac.at/media/aktuelle…

#NanoLumCat IT4Innovations Czech Advanced Technology and Research Institute SAN4Fuel VŠB – Technická univerzita Ostrava Moravskoslezský kraj GlobalExperts

This has been a really long story and it is a really long paper!
Just out in JACS ACS Publications.

#SHARC 🦈 helps discovering #AntiKasha Luminescence in a Re Photosensitizer from AK Meyer Göttingen with Dirk Schwarzer & Oliver Wenger.
#SPP2102 DFG public | @[email protected]
pubs.acs.org/doi/10.1021/ja…

It was very insightful to attend the NanoLumCat workshop at IT4Innovations in Ostrava about #CarbonDots to power #SolarFuels ☀️.
Thanks to Michal Otyepka for the kind invitation!
SAN4Fuel

it4i.cz/en/about/infos…

I'm excited to share my first manuscript as co-corresponding author *⃣ 🤩. The González Group .

Putting the pieces together on how to compute the non-radiative deactivation of #ruthenium complexes 💪. CataLight FWF DFG public | @[email protected]

authors.elsevier.com/sd/article/S00…

Emits or does not to emit? 🤔
Puzzled about how to compute emission lifetimes in #Ruthenium complexes?
Great work by
David Hernández Castillo in CataLight
FWF DFG public | @[email protected]

Guidelines to calculate non-radiative deactivation mechanisms of ruthe... sciencedirect.com/science/articl…

Interested in solar fuels? ☀️
Check our contribution to this Special Issue in The Journal of Chemical Physics!
Learn about what protonation and Jahn–Teller effects make with a #POM for #wateroxidation

pubs.aip.org/aip/jcp/articl…

Powered by CataLight , FWF and DFG public | @[email protected]

Congrats to 10 papers Iakovos Saridakis (he/him)! 🥳 So happy to have been part of the PyrAtes 🏴‍☠️ project

Impossible FRET? Explained by Richard Jacobi (he/him) in his newest publication in PCCP 👇👇👇
CataLight FWF

pubs.rsc.org/en/content/art…

Always a pleasure to work with MaulideGroup. This time, thanks to MolTag Doc Program also with Harald Sitte MedUni Wien. Thanks to Nadja K. Singer (she/her) and Pedro A. Sánchez-Murcia for catalyzing this colorful 🌈 work.
FWF

New #publication : 'Drug design on quantum computers' in Nature Physics. The González Group, The González Group of Universität Wien & international partners explore quantum computing's potential in drug development, breaking barriers in molecular simulation.
nature.com/articles/s4156…

Können Quantencomputer bei der Entwicklung neuer Medikamente helfen? medienportal.univie.ac.at/media/aktuelle…

University of Vienna STEM #QuantumComputer #CompChem #QuantumChem