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Ashok Kumar

@akbansal1991.bsky.social
33 followers 79 following 4 posts

Computational Chemistry, India x.com/AKBansal1991 www.linkedin.com/in/akbansal1991

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Reposted by Ashok Kumar
Stu Cantrill @stuartcantrill.com · 16/06/2025
I have poked the @rsc.org on X/Twitter a bit over the years (sorry folks...), but huge kudos to them for leaving what has become even more of a toxic and hateful platform www.rsc.org/news-events/... 👏 #chemsky
rsc.org
Social media and connecting with our community
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Reposted by Ashok Kumar
Leonid Schneider @forbetterscience.bsky.social · 03/02/2025
“Unreliable” by Csaba Szabo – book review and excerpt forbetterscience.com/2025/02/03/u...
forbetterscience.com
“Unreliable” by Csaba Szabo – book review and excerpt
Csaba Szabo’s book “Unreliable: Bias, Fraud, and the Reproducibility Crisis in Biomedical Research” – review by Zoltan Ungvari and excerpt.
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Ashok Kumar @akbansal1991.bsky.social · 11/04/2025
It's common to hear that +I effect of H < D < T. So, one would think CD₃COO⁻ less stable than CH₃COO⁻? But do isotopes really differ in inductive effect? I explored this nuanced debate and shared key literature in a StackExchange post. Check it out: chemistry.stackexchange.com/questions/20...
chemistry.stackexchange.com
Inductive effect of hydrogen isotopes
Why does the electron-donating inductive effect (+I) of the isotopes of hydrogen decrease in the order $\ce{T} &gt; \ce{D} &gt; \ce{H}$? (where T is Tritium and D is Deuterium) Google has nothing to
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Reposted by Ashok Kumar
Avogadro Project @avogadro.cc · 22/01/2025
We're starting off 2025 with a new release - 1.100 Highlights include new blur and fog rendering, faster orbital surfaces, return of the MO table, translucent balls-and-sticks, conformer properties, an improved molecular properties window, and more... discuss.avogadro.cc/t/avogadro-1...
Molecular rendering of a tetrapeptide with translucent van der Waals spheres and balls-and-sticks backboneRendering of C60 fullerene with highest-occupied molecular orbital (HOMO) in translucent blue and red surfaces with a window listing all molecular orbitals, energies and rendering statusMolecular properties window, listing molecule name (C60-Ih)[5,6]fullerene or C60 fullerene, molecular mass, chemical formula, number of atoms, number of bonds, net charge, net spin multiplicity, dipole moment (0.0), HOMO and LUMO orbital energies in eV
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Reposted by Ashok Kumar
Müller Gruppe FU Berlin @muellergroup.bsky.social · 28/03/2025
📢We are here again with a new publication on "Cyclo-P5− Revisited: The Surprisingly Stable Uncoordinated Pentaphospholide Anion" 🥳🎊 Congratulations 👏 @moabit1996.bsky.social Here's the link: onlinelibrary.wiley.com/doi/10.1002/...
onlinelibrary.wiley.com
Cyclo‐P5− Revisited: The Surprisingly Stable Uncoordinated Pentaphospholide Anion
The addition of [2.2.2]cryptand to alkali metal heptaphosphides M3P7 (M = Na, K) leads to the formation of the salts [M([2.2.2]cryptand)][cyclo-P5]. Although the cyclo-P5− anion is spectroscopically ...
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Reposted by Ashok Kumar
Dr. Or M. Bialik |📚|🔬|🌊|⚒️ @obialik.bsky.social · 24/03/2025
Well... that's big. 🧪 (Also, the original paper The Guardian story discusses www.pnas.org/doi/abs/10.1...)
pnas.org
PNAS
Proceedings of the National Academy of Sciences (PNAS), a peer reviewed journal of the National Academy of Sciences (NAS) - an authoritative source of high-impact, original research that broadly spans...
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Reposted by Ashok Kumar
Philip Ball @philipcball.bsky.social · 17/03/2025
Water could become a superacid, able to protonate saturated hydrocarbons, at high pressure and temperature. Wow! www.arxiv.org/abs/2503.10849
arxiv.org
Water is a superacid at extreme thermodynamic conditions
The chemical behavior of water under extreme pressures and temperatures lies at the heart of processes shaping planetary interiors, influences the deep carbon cycle, and underpins innovative high-temp...
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Reposted by Ashok Kumar
Philip Ball @philipcball.bsky.social · 17/03/2025
I wish I understood this explanation of the Mpemba effect. At any rate, it is still rather wonderful to see such recondite physics attached to the name of a Tanzanian schoolboy. journals.aps.org/prl/abstract...
journals.aps.org
Thermomajorization Mpemba Effect
The thermomajorization Mpemba effect implies the occurrence of the Mpemba effect within a bounded time for any monotone distance measure, utilized to quantify the anomalous relaxation speed.
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Chemical Science @chemicalscience.rsc.org · 14/03/2025
"Chatbot-Assisted Quantum Chemistry for Explicitly Solvated Molecules" is the latest research from Fang Liu in Chemical Science! This work can be read for free here: doi.org/10.1039/D4SC... #CompChemSky #ChemSky
doi.org
Chatbot-assisted quantum chemistry for explicitly solvated molecules
Advanced computational chemistry software packages have transformed chemical research by leveraging quantum chemistry and molecular simulations. Despite their capabilities, the complicated design and the requirement for specialized computing hardware hinder their applications in the broad chemistry community
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Ashok Kumar @akbansal1991.bsky.social · 01/02/2025
www.nature.com/articles/d41...
nature.com
Bluesky’s science takeover: 70% of Nature poll respondents use platform
Roughly 6,000 readers answered our poll, with many declaring that Bluesky was nicer, kinder and less antagonistic to science than X.
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Reposted by Ashok Kumar
Vanessa Seifert @vanessaseifert.bsky.social · 24/01/2025
Here it is! My article for @aeon.co is now out and it is about what I currently work on in my Marie Curie project #CReaCaL. Hope you like it! aeon.co/essays/the-n...
aeon.co
The neglected ‘laws’ of chemistry – and why they matter | Aeon Essays
Often dismissed as the poor cousin of the sciences, chemistry has revealed natural laws that illuminate our Universe
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Kimika Teorikoa Lab @theochemehu.bsky.social · 17/01/2025
You can now watch yesterday's talk at @dipcehu.bsky.social by Eduard Matito from our lab #compchem www.youtube.com/live/cDJFVD9...
youtube.com
Ten Years Developing Electronic Structure Methods at the DIPC
YouTube video by Donostia International Physics Center
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Reposted by Ashok Kumar
Sciences @sciences.skyfleet.blue · 16/01/2025
A generative model for inorganic materials design
nature.com
A generative model for inorganic materials design
Nature, Published online: 16 January 2025; doi:10.1038/s41586-025-08628-5 XXX.
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Ashok Kumar @akbansal1991.bsky.social · 14/01/2025
www.researchprofessionalnews.com/rr-news-euro...
researchprofessionalnews.com
More than 60 German universities and research institutions leave X - Research Professional News
Changes to the social media platform make further use “untenable”, group says
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Reposted by Ashok Kumar
John Parkhill @johnparkhill.bsky.social · 10/01/2025
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Nature [Unofficial] @nature.com.web.brid.gy · 24/12/2024
nature.com
Total synthesis of twenty-five picrotoxanes by virtual library selection
Nature, Published online: 23 December 2024; doi:10.1038/s41586-024-08538-y Total synthesis of twenty-five picrotoxanes by virtual library selection
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C&EN (Chemical & Engineering News) @cenmag.bsky.social · 03/01/2025
Martin Karplus, professor of chemistry emeritus at Harvard University and professeur conventionné at the University of Strasbourg, died Dec. 28 at the age of 94. cen.acs.org/people/obitu... #chemsky
Theoretical chemist Martin Karplus
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C&EN (Chemical & Engineering News) @cenmag.bsky.social · 03/01/2025
An academic journal has retracted a study conducted by researchers with the science services giant Thermo Fisher Scientific over concerns that a tool used in the study violates the ethical standards of forensic genetics. cen.acs.org/policy/publi... 🧪 #scinews
cen.acs.org
Journal retracts Thermo Fisher Scientific study after ethical concerns
<i>Electrophoresis</i> says it can’t verify informed consent in China’s collection of DNA data
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Magdalena Skipper @magdalenaskipper.bsky.social · 01/01/2025
“We must push back against those who in ignorance or bad faith seek to undermine life-saving inventions such as vaccines … the scientific method honestly applied, including a willingness to change theories in the light of new evidence, remains a powerful tool for progress” www.ft.com/content/4f8c...
ft.com
A year of scientific breakthroughs
The progress of new discoveries must be celebrated
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Nature Portfolio @natureportfolio.nature.com · 31/12/2024
A long-standing tension over the Universe’s expansion rate might be put to rest, thanks to Wendy Freedman’s efforts. Freedman is part of Nature’s 10, a list of people who shaped science in 2024. 🧪 🔭
go.nature.com
How fast is the Universe expanding? This astronomer took cosmology closer to an answer
Wendy Freedman is part of Nature’s 10, a list of people who shaped science in 2024.
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Ashok Kumar @akbansal1991.bsky.social · 30/12/2024
Reductionist Valley seems fascinating 🤔—from (classical) elements to DNA, then climbing to complex systems! Wonder how different a chemist 🧪 or physicist ⚛️ would draw their version of this? Source: tape-lab.com/blog/2016/8/... #Science #Reductionism #Emergence
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Compound Interest | Chemistry infographics @compoundchem.com · 24/12/2024
For the final day of #ChemAdvent24, we take a look at the chemical history of tinsel, from lead (yikes) to present-day plastic 🎄 #ChemSky 🧪
Infographic on the chemical history of tinsel, charting the use of silver pre-1900, aluminium and lead from 1900 onwards, and PVC in the present day
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