Experimental evidence found for long-distance intermolecular forces – Physics World
https://physicsworld.com/a/experimental-evidence-found-for-long-distance-intermolecular-forces/
https://physicsworld.com/a/experimental-evidence-found-for-long-distance-intermolecular-forces/
Physics World
Experimental evidence found for long-distance intermolecular forces
Forces between cellular proteins are mediated by electrodynamic interactions
👍1
Forwarded from Raymond Tao
Hello @HenriqueCSJ, we recently released our LModeA-nano code on GitHub (https://github.com/smutao/LModeA-nano). This program can calculate the chemical bond strength in solids, surfaces and molecules via our local vibrational mode theory. The paper introducing this code is published recently (https://pubs.acs.org/doi/10.1021/acs.jctc.1c01269). Detailed documentation can be found at https://lmodea-nano.readthedocs.io/.
Is it possible to put this information to your channel? Thanks a lot!
Is it possible to put this information to your channel? Thanks a lot!
GitHub
GitHub - smutao/LModeA-nano: calculate chemical bond strength in solids, surfaces and molecules
calculate chemical bond strength in solids, surfaces and molecules - smutao/LModeA-nano
👍4🤩1
Uncovering the secret behind the behavior of unique superconducting materials
https://phys.org/news/2022-03-uncovering-secret-behavior-unique-superconducting.html
https://phys.org/news/2022-03-uncovering-secret-behavior-unique-superconducting.html
phys.org
Uncovering the secret behind the behavior of unique superconducting materials
Over the last 35 years, scientists have investigated a special type of materials called superconductors. When cooled to the correct temperatures, these materials allow electricity to flow without resistance. ...
Modern_Physical_Organic_Chemistry_by_Anslyn_Eric,_Dougherty_Dennis.pdf
57.6 MB
Modern Physical Organic Chemistry
Computational Organometallic chemistry.pdf
4.6 MB
Computational Organometallic chemistry
Chemical engineers use neural networks to discover the properties of metal-organic frameworks
https://phys.org/news/2022-03-chemical-neural-networks-properties-metal-organic.html
https://phys.org/news/2022-03-chemical-neural-networks-properties-metal-organic.html
phys.org
Chemical engineers use neural networks to discover the properties of metal-organic frameworks
Metal-organic frameworks, a class of materials with porous molecular structures, have a variety of possible applications, such as capturing harmful gases and catalyzing chemical reactions. Made of metal ...
After More Than 20 Years, Scientists Have Finally Solved the Full-Length Structure of a Janus Kinase
https://scitechdaily.com/after-more-than-20-years-scientists-have-finally-solved-the-full-length-structure-of-a-janus-kinase/
https://scitechdaily.com/after-more-than-20-years-scientists-have-finally-solved-the-full-length-structure-of-a-janus-kinase/
SciTechDaily
After More Than 20 Years, Scientists Have Finally Solved the Full-Length Structure of a Janus Kinase
The breakthrough came on molecular biologist Christopher Garcia’s birthday. For more than 20 years, his team and others around the world had been chasing an elusive quarry – the 3D structure of a crucial signaling protein in cells. In late 2021, his electron…
The Pople Basis Sets (3-21G, 6-311G etc) are one of the best basis sets available and indicated for most cases
Anonymous Quiz
53%
True
47%
False
👍2
Preprint server removes ‘inflammatory’ papers in superconductor controversy | Science | AAAS
https://www.science.org/content/article/preprint-server-removes-inflammatory-papers-superconductor-controversy
https://www.science.org/content/article/preprint-server-removes-inflammatory-papers-superconductor-controversy
Science
Preprint server removes ‘inflammatory’ papers in superconductor controversy
Some physicists worry about stifling debate, others commend arXiv’s system of moderating papers
👍2
Computational_approaches_in_cheminformatics_and_bioinformatics.pdf
5 MB
Computational approaches in cheminformatics and bioinformatics
👍5
AN ELECTRONIC STRUCTURE PROGRAM
eT is an open source program with coupled cluster, multiscale and multilevel methods.
https://etprogram.org/
eT is an open source program with coupled cluster, multiscale and multilevel methods.
https://etprogram.org/
Novel theory of entropy may solve materials design issues
https://phys.org/news/2022-03-theory-entropy-materials-issues.html
https://phys.org/news/2022-03-theory-entropy-materials-issues.html
phys.org
Novel theory of entropy may solve materials design issues
A challenge in materials design is that in both natural and manmade materials, volume sometimes decreases, or increases, with increasing temperature. While there are mechanical explanations for this phenomenon ...
👍1
Quantum Computers Getting Smarter at Simulating Chemistry
https://spectrum.ieee.org/quantum-chemistry-largest
https://spectrum.ieee.org/quantum-chemistry-largest
IEEE Spectrum
Quantum Computers Getting Smarter at Simulating Chemistry
A new hybrid quantum-classical approach could help avoid issues with noise in quantum circuits
👍2
Open Access of the day - A Quantitative Molecular Orbital Perspective of the Chalcogen Bond:
https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/open.202000323
https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/open.202000323