@JorgGrunenberg

Computational Chemistry; Computational Spectroscopy; Compliance code; Very Good Drummer; https://xitter.cf/t.co/N7aIMzJNAc

 Brunswick, Germany
oc.tu-bs.de/Grunenberg
Joined June 2020
  • Tweets233
  • Following287
  • Followers725
45Media
Predicting the reactivity of Zr-OOH species in MOFs using relaxed force constants: advanced.onlinelibrary.wiley…

Pairs of Zirconium Site and Hydroxyl in MOFs Enable Generating Peroxo Species for Efficiently...

In this work, we demonstrate the generation of non-radical Zr-OOH species via H2O2 activation by pairs of Lewis acidic Zr sites and terminal hydroxyl in zirconium trimesate MOF-808, achieving tandem...

advanced.onlinelibrary.wiley.com
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Characterizing labil bonds in PFASs using relaxed force constants: doi.org/10.1063/5.0319560

Atom-specific vibrational analysis reveals labile bonds in linear and branched PFOA molecules

We have performed atom-specific vibrational analyses of a large number of perfluorooctanoic acid isomers as well as their anions and show that differences in th

pubs.aip.org
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xitter.cf/i/status/2052031333157…
Meidas_Charise Lee
@charise_leeMay 6
Jimmy breaks down the 10th week of Trump‘s war in Iran (and he can barely keep it together) 🤣🤣🤣
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Warum chinesische Universitäten globale Rankings dominieren faz.net/aktuell/politik/ausl…

Warum chinesische Universitäten globale Rankings dominieren

Die besten Unis der Welt? Laut Forschungsrankings sind sie fast alle in China. Jahrzehntelang hat Peking darauf hingearbeitet – mit allen Mitteln.

faz.net
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Decoding thermal effects on impact sensitivity of energetic materials: Trigger bonds characterized by relaxed force constants: sciencedirect.com/science/ar…
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Relaxed Force Constants in MOFs: advanced.onlinelibrary.wiley…

Pairs of Zirconium Site and Hydroxyl in MOFs Enable Generating Peroxo Species for Efficiently...

In this work, we demonstrate the generation of non-radical Zr-OOH species via H2O2 activation by pairs of Lewis acidic Zr sites and terminal hydroxyl in zirconium trimesate MOF-808, achieving tandem...

advanced.onlinelibrary.wiley.com
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Jimmy "interviews" Trump about the U.S. attack on Iran. #FallonTonight #... youtube.com/shorts/qfWjsX6EU… via @YouTube

Jimmy "interviews" Trump about the U.S. attack on Iran. #FallonTonight #TonightShow #Trump #shorts

Jimmy Fallon loses control during this hilarious Tonight Show inter...

youtube.com
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Fresh of the press: onlinelibrary.wiley.com/doi/…

Cyclacene Stability: The Interplay of Strain, Aromaticity and Force Coupling

Cyclacene stability arises from a balance between structural strain and aromaticity. Strain-corrected heats of hydrogenation reveal that cyclacene thermodynamic stability is governed primarily by...

onlinelibrary.wiley.com
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Pyracylenes: Facile Synthetic Access and Continuous Face-To-Face Antiaromatic π-Stacking | JACS Au pubs.acs.org/doi/10.1021/jac…

Pyracylenes: Facile Synthetic Access and Continuous Face-To-Face Antiaromatic π‑Stacking

Abstract. Pyracylene is a nonalternant hydrocarbon which has long fascinated chemists, but whose structure is exceedingly rare in experimental reports. Pyr

pubs.acs.org
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xitter.cf/i/status/2014316524983…
Brian Allen
@allenanalysisJan 22
This clip is exactly why the White House didn’t want Gavin Newsom anywhere near Davos. Because he doesn’t do the “bow your head and smile” routine. He says it out loud, on camera, in front of the world and makes Trump’s chaos look as unserious as it actually is.
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xitter.cf/i/status/2011327767007…
Nicole Minét
@mouvement33Jan 14
Uh...wut? 😂
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Please, please stop it! I can't stand it anymore...
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Relaxed B-N forces constants in diazoboranes: pubs.acs.org/doi/10.1021/jac…

Impact of Carbene Ligands on the Properties and Reactivity of Diazoboranes

Abstract. While diazo compounds and organic azides have been extensively studied over the past two centuries, their boron analogs, diazoboranes, were only

pubs.acs.org
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xitter.cf/AntiTrumpCanada/status…
Canada Hates Trump@AntiTrumpCanada17 Sep 2025
Trump: “Other countries, and their leaders know that if I’m president, they can’t mess with us. They respect me too much." Germany: 😂😂😂😂😂😂
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Everything you always wanted to know about coupling force constants: "Effective Computation of Coupling Force Constants" pubs.acs.org/doi/10.1021/acs…

Effective Computation of Coupling Force Constants: Metal Carbonyls as a Test Case

Abstract. An automated protocol enabling the efficient computation of unique potential coupling constants is presented. Several modern density functional (

pubs.acs.org
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Relaxed Force Constants in Machine Learning Models: pubs.acs.org/doi/10.1021/acs…

Pd–Methyl Bond EnergyProperty Correlations, Noncorrelations, Machine Learning Models, and Applica...

Abstract. Metal–carbon bonds are a key intermediate in a variety of homogeneous organometallic transformations and often determine the critical thermodynam

pubs.acs.org
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Relaxed force constants in excited states: pubs.acs.org/doi/10.1021/acs…

Spectroscopic Implications for [N–X–N]+ (X = I, Br)-Type Halonium Compounds with Formal Hypervalency

Abstract. Bis(pyridine)halonium complexes, [Py2X]+ (Py = C5H5N, X = I, Br), are formally regarded as hypervalent species, possessing 10 valence electrons a

pubs.acs.org
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Jörg Grunenberg retweeted
Oded Rechavi
@OdedRechavi22 Aug 2025
Journals in August
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Check out our new publication in @angew_chem. A new class of ylides! onlinelibrary.wiley.com/doi/… @m_yasirmehboob @AilarBadri @IOC_PAS

Design of Carbon–Carbon Ylides

The norbornane-2,6-dione framework can accommodate a carbon-carbon ylide with a zwitterionic σ-bond.

onlinelibrary.wiley.com
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Very good read! Spectroscopic Implications for [N–X–N]+ (X = I, Br)-Type Halonium Compounds with Formal Hypervalency | Inorganic Chemistry pubs.acs.org/doi/10.1021/acs…

Spectroscopic Implications for [N–X–N]+ (X = I, Br)-Type Halonium Compounds with Formal Hypervalency

Abstract. Bis(pyridine)halonium complexes, [Py2X]+ (Py = C5H5N, X = I, Br), are formally regarded as hypervalent species, possessing 10 valence electrons a

pubs.acs.org
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