Ashok Kumar
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akbansal1991.bsky.social
Ashok Kumar
@akbansal1991.bsky.social
30 followers 79 following 4 posts
Computational Chemistry, India
https://x.com/AKBansal1991
https://www.linkedin.com/in/akbansal1991
Posts Replies Media Videos
Reposted by Ashok Kumar
stuartcantrill.com
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
Social media and connecting with our community
www.rsc.org
June 16, 2025 at 8:49 AM
Reposted by Ashok Kumar
forbetterscience.bsky.social
“Unreliable” by Csaba Szabo – book review and excerpt
forbetterscience.com/2025/02/03/u...
“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.
forbetterscience.com
February 3, 2025 at 6:01 AM
akbansal1991.bsky.social
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...
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
chemistry.stackexchange.com
April 11, 2025 at 7:36 PM
Reposted by Ashok Kumar
avogadro.cc
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 backbone Rendering 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 status Molecular 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
January 22, 2025 at 2:28 PM
Reposted by Ashok Kumar
muellergroup.bsky.social
📢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/...
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 ...
onlinelibrary.wiley.com
March 28, 2025 at 3:09 PM
Reposted by Ashok Kumar
obialik.bsky.social
Well... that's big. 🧪
(Also, the original paper The Guardian story discusses
www.pnas.org/doi/abs/10.1...)
March 24, 2025 at 9:25 PM
Reposted by Ashok Kumar
philipcball.bsky.social
Water could become a superacid, able to protonate saturated hydrocarbons, at high pressure and temperature. Wow!
www.arxiv.org/abs/2503.10849
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...
www.arxiv.org
March 17, 2025 at 3:52 PM
Reposted by Ashok Kumar
philipcball.bsky.social
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...
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.
journals.aps.org
March 17, 2025 at 10:39 AM
Reposted by Ashok Kumar
chemicalscience.rsc.org
"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
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
doi.org
March 14, 2025 at 2:55 PM
akbansal1991.bsky.social
www.nature.com/articles/d41...
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.
www.nature.com
February 1, 2025 at 4:51 PM
Reposted by Ashok Kumar
vanessaseifert.bsky.social
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...
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
aeon.co
January 24, 2025 at 11:22 AM
Reposted by Ashok Kumar
theochemehu.bsky.social
You can now watch yesterday's talk at @dipcehu.bsky.social by Eduard Matito from our lab
#compchem

www.youtube.com/live/cDJFVD9...
Ten Years Developing Electronic Structure Methods at the DIPC
YouTube video by Donostia International Physics Center
www.youtube.com
January 17, 2025 at 11:54 AM
Reposted by Ashok Kumar
sciences.skyfleet.blue
A generative model for inorganic materials design
A generative model for inorganic materials design
Nature, Published online: 16 January 2025; doi:10.1038/s41586-025-08628-5 XXX.
www.nature.com
January 16, 2025 at 10:55 AM
akbansal1991.bsky.social


www.researchprofessionalnews.com/rr-news-euro...
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
www.researchprofessionalnews.com
January 14, 2025 at 4:34 AM
Reposted by Ashok Kumar
johnparkhill.bsky.social
January 10, 2025 at 3:14 AM
Reposted by Ashok Kumar
nature.com.web.brid.gy
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
www.nature.com
December 24, 2024 at 10:13 AM
Reposted by Ashok Kumar
cenmag.bsky.social
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
January 3, 2025 at 6:45 PM
Reposted by Ashok Kumar
cenmag.bsky.social
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
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
cen.acs.org
January 3, 2025 at 5:34 PM
Reposted by Ashok Kumar
magdalenaskipper.bsky.social
“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...
A year of scientific breakthroughs
The progress of new discoveries must be celebrated
www.ft.com
January 1, 2025 at 11:21 AM
Reposted by Ashok Kumar
natureportfolio.nature.com
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. 🧪 🔭
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.
go.nature.com
December 31, 2024 at 7:31 PM
akbansal1991.bsky.social
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
December 30, 2024 at 7:07 PM
Reposted by Ashok Kumar
compoundchem.com
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
December 24, 2024 at 3:53 PM