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Tim Schramm

@tkschramm.bsky.social
73 followers 97 following 5 posts

Graduate Researcher in Computational Chemistry @grimmelab.bsky.social | M. Sc. @rwth.bsky.social and with M. Head-Gordon @ucberkeleyofficial.bsky.social

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Reposted by Tim Schramm
Nature Synthesis @natsynth.nature.com · 08/10/2025
Research Highlight now online: Palladium makes agostic C–H bonds more acidic by Eric J. Piechota www.nature.com/articles/s44... ($) Highlighting the @jacs.acspublications.org article by Andreas Hansen, Demyan E. Prokopchuk & co-workers #Chemsky
nature.com
Palladium makes agostic C–H bonds more acidic - Nature Synthesis
Nature Synthesis - Palladium makes agostic C–H bonds more acidic
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Reposted by Tim Schramm
Demyan 🇺🇦 Prokopchuk ⌬ @dpro.bsky.social · 25/09/2025
Thanks so much to @bribarbu.bsky.social and @cenmag.bsky.social for highlighting our recent work! 😊 @tkschramm.bsky.social @unibonn.bsky.social
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Tim Schramm @tkschramm.bsky.social · 10/09/2025
Exciting to see this experiment–theory synergy finally published in JACS! 🧪 Thanks to Lirong Lin and @dpro.bsky.social for the many Zoom discussions — always a pleasure working together to clarify such fundamental reactivity questions!
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Tim Schramm @tkschramm.bsky.social · 07/08/2025
Happy to share my first PhD contribution from the @grimmelab.bsky.social! 🎓 We explored the N-H bond thermochemistry of an amine-rich cyclopentadienyl ligand motif that shows no change in N-H bond acidity when coordinated to iron - surprising! #compchem #PCET #catalysis #ORCA doi.org/10.1021/acso...
doi.org
Expanding the PCET Thermochemistry of CpN3: N–H Bond Strengths of Metal-Free CpN3 Molecules and the Influence of Fe(CO)3 Coordination
Amine rich cyclopentadienyl (CpN3) ligands are electronically distinct from classical Cp ligand architectures, as they exhibit fascinating proton-coupled electron transfer (PCET) chemistry under acidi...
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Tim Schramm @tkschramm.bsky.social · 03/01/2025
Just in time for 2025: Our new JACS paper, introducing "regioisomeric engineering" for stabilizing multi-electron organic flow batteries via charge and spin density redistribution as tracked by DFT! #compchem Read more: doi.org/10.1021/jacs...
doi.org
Regioisomeric Engineering for Multicharge and Spin Stabilization in Two-Electron Organic Catholytes
Developing multicharge and spin stabilization strategies is fundamental to enhancing the lifetime of functional organic materials, particularly for long-term energy storage in multiredox organic redox...
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