Emmanuel Nicolas
@enicolas.bsky.social
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📥 86
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Chemist, Researcher
@lcmce.bsky.social
(CEA Paris-Saclay)
Excellent talk by
@supersciencegrl.co.uk
with insights on what will labs may become, and also a nice view on AI that will help scientists but never replace them. (And less admin for chemists!)
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18 days ago
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Emmanuel Nicolas
Signal
about 1 month ago
We are alarmed by reports that Germany is on the verge of a catastrophic about-face, reversing its longstanding and principled opposition to the EU’s Chat Control proposal which, if passed, could spell the end of the right to privacy in Europe.
signal.org/blog/pdfs/ge...
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https://signal.org/blog/pdfs/germany-chat-control.pdf
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Aron ⇋ e⁻
3 months ago
"The data that support the findings of this study are available from the corresponding author upon reasonable request" How can this still appear in scientific papers from 2025? As a reader, reviewer, and evaluator (promotions, faculty hiring, awards), it is a red flag
#OpenScience
#ChemSky
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Marcel M
5 months ago
After years of development and preparatory works which you might have seen on this profile, a major milestone is achieved: g-xTB marks not just an evolution, but a revolution in the capabilities of semiempirical quantum chemistry. Convince yourself! A thread. 🔗
chemrxiv.org/engage/chemr...
#compchem
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g-xTB: A General-Purpose Extended Tight-Binding Electronic Structure Method For the Elements H to Lr (Z=1–103)
We present g-xTB, a next-generation semi-empirical electronic structure method derived from tight-binding (TB) approximations to Kohn–Sham density functional theory (KS-DFT). Designed to bridge the ga...
https://chemrxiv.org/engage/chemrxiv/article-details/685434533ba0887c335fc974
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Scott Bagley
5 months ago
Great article highlighted here by
dereklowe.bsky.social
on stirbar effects - hits home when your scale up doesn’t work because the K2CO3 wasn’t ground to powder with overhead stirring on large scale like it was with a stirbar in a flask or vial
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Stir Bars Can't Be Ignored
https://www.science.org/content/blog-post/stir-bars-can-t-be-ignored
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Emmanuel Nicolas
CEA
5 months ago
#science
🔬 | Et si on recyclait le CO₂ de l’air comme le font les plantes ? 🌬️ Avec AIR Capture, le CEA explore une voie radicalement nouvelle : s’inspirer du vivant pour capter et convertir le CO₂ atmosphérique en carburants. Un pari permis grâce au programme
#Audace
! 🎥 + d'informations 👇
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European Research Council (ERC)
6 months ago
Planning to apply for
#research
#funding
from the ERC? From the next application rounds, expect changes to the: • proposal structure • evaluation process • extra funding you can request • eligibility for Starting & Consolidator
#Grants
(from 2027) More 👇
europa.eu/!RPHWvv
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Changes to the 2026 and 2027 Work Programmes
With the launch of the competitions for grants under ERC Work Programme 2026 in July of this year, several changes to the submission of applications and the evaluation of proposals will apply. The mai...
https://europa.eu/!RPHWvv
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Emmanuel Nicolas
LCMCE Research team
8 months ago
Many congratulations Lucile! A very well deserved prize, that recognises excellent science. Looking forward for the future results!
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Emmanuelle Picard
8 months ago
encore un délire du CNU: un dossier de qualification a été jugé non recevable car le rapport de soutenance de thèse contenait des paragraphes en anglais (i.e. non traduits). Les mêmes qui se permettent de porter un jugement sur l'internationalisation des collègues (promo par ex)
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Lucile Anthore-Dalion
8 months ago
A fruitful collaboration between molecular chemists and photophysicists to uncover the mechanism of a simple but intriguing photocatalytic process now out in Chemrxiv. Congrats Zineb and Marianne for this work!
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Emmanuel Nicolas
CEA
9 months ago
#Recherche🔬|
Au CEA, on a de l’Audace ! Ce matin a eu lieu le lancement officiel d' « Audace ! », un programme de recherche à risque.👀 🎯Son objectif ? Encourager les chercheurs à explorer des voies inédites et imaginer les innovations de rupture de demain.
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RJ-SCF IdF
9 months ago
Save the date: Webinaire Jeunes "Chimie théorique" 📢 📅 Quand ? 11 mars de 13h à 14h 🌐 Où ? En ligne Venez rencontrer et échanger avec nos 4 speakers (les titres dans les commentaires) autour du thème de la chimie théorique. Nous vous y attendons nombreux ! Inscription via
bit.ly/WebinaireJeu...
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Emmanuel Nicolas
10 months ago
First opportunity to post on Bluesky 😁 check out our preprint on the hydricity of hydrosilanes:
chemrxiv.org/engage/chemr...
We used a combination of electrochemistry and hydride transfer reactions to evaluate silane hydricity - a measure for how good of a hydride donor these molecules are!
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Experimental evaluation of the hydricity of hydrosilanes
Despite their widespread use as reductants, the thermodynamic hydricities of hydrosilanes have not been determined experimentally. We report the hydricities of three triarylsilanes, determined by a co...
https://chemrxiv.org/engage/chemrxiv/article-details/6799f0ac6dde43c908d0eb94
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Oliver Wenger
10 months ago
Excited organic radicals in photoredox catalysis Our perspective just published in JACS Au:
pubs.acs.org/doi/10.1021/...
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Excited Organic Radicals in Photoredox Catalysis
Many important synthetic-oriented works have proposed excited organic radicals as photoactive species, yet mechanistic studies raised doubts about whether they can truly function as photocatalysts. This skepticism originates from the formation of (photo)redox-active degradation products and the picosecond decay of electronically excited radicals, which is considered too short for diffusion-based photoinduced electron transfer reactions. From this perspective, we analyze important synthetic transformations where organic radicals have been proposed as photocatalysts, comparing their theoretical maximum excited state potentials with the potentials required for the observed photocatalytic reactivity. We summarize mechanistic studies of structurally similar photocatalysts indicating different reaction pathways for some catalytic systems, addressing cases where the proposed radical photocatalysts exceed their theoretical maximum reactivity. Additionally, we perform a kinetic analysis to explain the photoinduced electron transfer observed in excited radicals on subpicosecond time scales. We further rationalize the potential anti-Kasha reactivity from higher excited states with femtosecond lifetimes, highlighting how future photocatalysis advancements could unlock new photochemical pathways.
https://pubs.acs.org/doi/10.1021/jacsau.4c00974
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Matthieu Sollogoub
12 months ago
Congratulations Kajetan Bijouard for the nice paper! A great collaboration with Thibault Cantat and Lucile Anthore-Dalion! Glad this is out !
chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/...
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Tanja Pyhäjärvi
11 months ago
Big news from Finnish publication forum. Almost all MDPI and Frontiers journals will be downgraded to level 0 and thus are not considered as properly peer reviewed trustworthy scientific journals.
julkaisufoorumi.fi/en/news/chan...
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Changes to the classification
https://julkaisufoorumi.fi/en/news/changes-classification
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Emmanuel Nicolas
The Surendranath Group 🥭
12 months ago
Organohelium chemistry. ref: J. Am. Chem. Soc. 1988, 110, 4, 1298–1299
#chemsky
⚗️🧪
pubs.acs.org/doi/pdf/10.1...
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David Monniaux
about 1 year ago
Renumérotation des sections au Comité national de la recherche scientifique
www.cnrs.fr/comitenation...
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https://www.cnrs.fr/comitenational/Actualites/RenouvellementSection2529/Sections-Mandat-2025-2029.pdf
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