New high-speed method for spectroscopic measurements
https://phys.org/news/2021-06-high-speed-method-spectroscopic.html
https://phys.org/news/2021-06-high-speed-method-spectroscopic.html
phys.org
New high-speed method for spectroscopic measurements
Researchers at Tampere University and their collaborators have shown how spectroscopic measurements can be made much faster. By correlating polarization to the color of a pulsed laser, the team can track ...
Mathematics for Physical Chemistry.pdf
11 MB
Mathematics for Physical Chemistry
In Extraordinary Experiment, Physicists Bring Human-Scale Object to Near Standstill, Reaching a Quantum State
https://scitechdaily.com/in-extraordinary-experiment-physicists-bring-human-scale-object-to-near-standstill-reaching-a-quantum-state/
https://scitechdaily.com/in-extraordinary-experiment-physicists-bring-human-scale-object-to-near-standstill-reaching-a-quantum-state/
SciTechDaily
In Extraordinary Experiment, Physicists Bring Human-Scale Object to Near Standstill, Reaching a Quantum State
The results open possibilities for studying gravity’s effects on relatively large objects in quantum states. To the human eye, most stationary objects appear to be just that — still, and completely at rest. Yet if we were handed a quantum lens, allowing us…
Hello! Just a friendly reminder that tomorrow is the ORCA 5.0 release.
With all the new libraries, ORCA will be the fastest quantum chemistry code available. Do you use ORCA or have plans to use it?
With all the new libraries, ORCA will be the fastest quantum chemistry code available. Do you use ORCA or have plans to use it?
Scientists Can Now Design Single Atom Catalysts for Important Chemical Reactions
https://scitechdaily.com/scientists-can-now-design-single-atom-catalysts-for-important-chemical-reactions/
https://scitechdaily.com/scientists-can-now-design-single-atom-catalysts-for-important-chemical-reactions/
SciTechDaily
Scientists Can Now Design Single Atom Catalysts for Important Chemical Reactions
Using fundamental calculations of molecular interactions, they created a catalyst with 100% selectivity in producing propylene, a key precursor to plastics and fabric manufacturing. Researchers at Tufts University, University College London (UCL), Cambridge…
Hello! Just an update: the timezone for the ORCA event is CEST and not CET so, pay attention! The ICS file was updated to the correct timezone.
See the Highest-Resolution Atomic Image Ever Captured - Scientific American
https://www.scientificamerican.com/article/see-the-highest-resolution-atomic-image-ever-captured/
https://www.scientificamerican.com/article/see-the-highest-resolution-atomic-image-ever-captured/
Scientific American
See the Highest-Resolution Atomic Image Ever Captured
Scientists achieved a record level of visual detail with an imaging technique that could help develop future electronics and better batteries
If have expect that a molecule can aggregate to form a self-assembled system, can I use gaussian to see predict UV spectrum
Modern Quantum Mechanics by J. J. Sakurai Jim Napolitano.pdf
6.5 MB
2021 - Modern Quantum Mechanics - J. J. Sakurai & Jim Napolitano
ChemDraw free - running on the browser:
https://chemdrawdirect.perkinelmer.cloud/js/sample/index.html
https://chemdrawdirect.perkinelmer.cloud/js/sample/index.html
Join us for the next free webinar: Protein Simulations and Docking with SCIGRESS. SARS-Cov-2 Spike Protein case study.
Date: 08 July 2021
Time: 2:00PM GMT (10AM EDT)
Duration: 1h
During the meeting, our specialist will show you live, how to work with SCIGRESS. We will explain issues related to working with protein structures from Protein Data Bank, cleaning and optimization of proteins, finding and defining the active site and finally docking individual drug candidates, as well as batch processing for ranking purposes. No experience in computational chemistry is needed. After the presentation there will be time for questions and discussion.
We are meeting at Google Meet. You can join directly with the link:
https://meet.google.com/bzs-ydxd-szh
The webinar is completely free. After it you will also have the possibility to enjoy SCIGRESS with a full 30-day free trial version.
Summer break is near. Please note that this will be the last seminar till September.
We hope to see you at the webinar!
Date: 08 July 2021
Time: 2:00PM GMT (10AM EDT)
Duration: 1h
During the meeting, our specialist will show you live, how to work with SCIGRESS. We will explain issues related to working with protein structures from Protein Data Bank, cleaning and optimization of proteins, finding and defining the active site and finally docking individual drug candidates, as well as batch processing for ranking purposes. No experience in computational chemistry is needed. After the presentation there will be time for questions and discussion.
We are meeting at Google Meet. You can join directly with the link:
https://meet.google.com/bzs-ydxd-szh
The webinar is completely free. After it you will also have the possibility to enjoy SCIGRESS with a full 30-day free trial version.
Summer break is near. Please note that this will be the last seminar till September.
We hope to see you at the webinar!
Google
Real-time meetings by Google. Using your browser, share your video, desktop, and presentations with teammates and customers.
alvaBuilder is a software tool for de novo molecular design. With its simple interface, it can be used to generate novel molecules having a desirable set of properties (e.g., similarity to a given molecule, MW, logP, SAscore, QED, etc.) starting from a training set of your choice.
https://www.alvascience.com/alvabuilder/
https://www.alvascience.com/alvabuilder/
Alvascience
alvaBuilder - Alvascience
alvaBuilder AlvaBuilder is a software tool for de novo molecular design (Mauri, A., & Bertola, M. (2024). AlvaBuilder: A Software for De Novo Molecular Design.