Scientists ‘strummed’ a molecule’s chemical bonds like guitar strings | Science News
https://www.sciencenews.org/article/scientists-strummed-molecule-chemical-bonds-like-guitar-strings/amp
https://www.sciencenews.org/article/scientists-strummed-molecule-chemical-bonds-like-guitar-strings/amp
Science News
Scientists ‘strummed’ a molecule’s chemical bonds like guitar strings | Science News
Scientists dragged an atomic force microscope tip, with a single carbon monoxide molecule dangling from it, across a chemical bond.
To the people working with drug discovery, here is a free webinar by the *American Chemical Society*:
* How drugs REALLY get into cells (it is not as the textbooks describe it):
Save your spot: http://app.connect.discoveracs.org/e/es?s=341921710&e=68290&elqTrackId=efd74c1a1b7a40299e524d6e5aa03bea&elq=1727b11ad2d44e7791389d3e468d2ed8&elqaid=1144&elqat=1
* How drugs REALLY get into cells (it is not as the textbooks describe it):
Save your spot: http://app.connect.discoveracs.org/e/es?s=341921710&e=68290&elqTrackId=efd74c1a1b7a40299e524d6e5aa03bea&elq=1727b11ad2d44e7791389d3e468d2ed8&elqaid=1144&elqat=1
First direct look at how light excites electrons to kick off a chemical reaction
https://phys.org/news/2020-05-electrons-chemical-reaction.amp
https://phys.org/news/2020-05-electrons-chemical-reaction.amp
phys.org
First direct look at how light excites electrons to kick off a chemical reaction
The first step in many light-driven chemical reactions, like the ones that power photosynthesis and human vision, is a shift in the arrangement of a molecule's electrons as they absorb the light's energy. ...
BIOINFORMATICS_HARSHAWARDHAN.pdf
22.2 MB
Bioinformatics: principles and applications
Next I'll post the following 7 videos of Prof. Cramer's course on Computational Chemistry: Foundations of Molecular Orbital Theory
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0301 - Foundations of Molecular Orbital Theory LCAO
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0301 - Foundations of Molecular Orbital Theory - Effective Hamiltonians
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0303 - Foundations of Molecular Orbital Theory - Hückel Model
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0304 - Semiempirical Molecular Orbital Theory Slater
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0305 - Semiempirical Molecular Orbital Theory - Simplifications of the Fock Matrix
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0306 - Semiempirical Molecular Orbital Theory - Simplifications of the Fock Matrix
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0307 - Semiempirical Molecular Orbital Theory Modern Usage
Solutions-manual-for-Modern-Quantum-Chemistry.pdf
357.2 KB
Solutions manual for Modern Quantum Chemistry
Unexpected Scientific Insights into COVID-19 From AI Machine Learning Tool – SciTechDaily
https://scitechdaily.com/unexpected-scientific-insights-into-covid-19-from-ai-machine-learning-tool/amp/
https://scitechdaily.com/unexpected-scientific-insights-into-covid-19-from-ai-machine-learning-tool/amp/
SciTechDaily
Unexpected Scientific Insights into COVID-19 From AI Machine Learning Tool
A team of materials scientists at Lawrence Berkeley National Laboratory (Berkeley Lab) – scientists who normally spend their time researching things like high-performance materials for thermoelectrics or battery cathodes – have built a text-mining tool in…
On behalf of the Amber developers I am pleased to announce the release of AmberTools20 and Amber20. These are significant updates from earlier versions.
Amber is a suite of biomolecular MD and QC simulation programs. It began in the late 1970's, and is maintained by an active development community
For information about new features, downloading and installation, please
visit: https://ambermd.org/
Amber is a suite of biomolecular MD and QC simulation programs. It began in the late 1970's, and is maintained by an active development community
For information about new features, downloading and installation, please
visit: https://ambermd.org/
ambermd.org
The Amber Molecular Dynamics Package
Amber is a package of programs for
molecular dynamics simulations of proteins and nucleic acids
molecular dynamics simulations of proteins and nucleic acids
On behalf of the MESMER team, we are delighted to announce that MESMER
6.0 (Master Equation Solver for Multi Energy-well Reactions) is now
available for download.
MESMER is designed to analyze and simulate reactions in the gas phase
that take place on a potential energy surface that is characterized by
having one or more potential wells, and which are typically described by
rate coefficients that depend on pressure (or concentration) as well as
temperature. MESMER allows you to simulate systems over a wide range of
pressures and temperatures, extract rate coefficients, analyze
experimental data, fit model parameters and represent rate coefficients
in formats that can be used directly in large scale simulations (e.g.
Cantera or Chemkin).
The Windows installer and Linux tar file are located at: https://sourceforge.net/projects/mesmer/
6.0 (Master Equation Solver for Multi Energy-well Reactions) is now
available for download.
MESMER is designed to analyze and simulate reactions in the gas phase
that take place on a potential energy surface that is characterized by
having one or more potential wells, and which are typically described by
rate coefficients that depend on pressure (or concentration) as well as
temperature. MESMER allows you to simulate systems over a wide range of
pressures and temperatures, extract rate coefficients, analyze
experimental data, fit model parameters and represent rate coefficients
in formats that can be used directly in large scale simulations (e.g.
Cantera or Chemkin).
The Windows installer and Linux tar file are located at: https://sourceforge.net/projects/mesmer/
SourceForge
MESMER
Download MESMER for free. MESMER is designed to analyze and simulate reactions in the gas phase that take place on a potential energy surface that is characterized by having one or more potential wells, and which are typically described by rate coefficients…
26 May 2020
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Live Webinar with Frances Arnold (2018 Nobel Laureate)
New Trends and Future Directions in Catalysis
The field of catalysis in chemistry was historically dominated by the use of transition metal catalysts. Due to a unique set of properties, precious metals in particular have played an integral role in developing catalysts for new modes of chemical bond activation and formation. One major and inherent drawback of precious metals, however, is their scarcity; in order to transition chemistry to a more sustainable use of the world’s limited resources, finding alternative strategies for catalysis is a major driving force in contemporary research. In this spirit, this webinar will feature talks about four areas of sustainable catalysis from leaders in their respective fields, highlighting state-of-the-art approaches and providing guidance for future developments in these areas of research.
https://www.brighttalk.com/webcast/16651/407827?utm_campaign=STMJ_112262_EVNT_WEB&utm_medium=email&utm_dgroup=112262_SCO_NOAB_SGL_ALL&utm_acid=-964626667&SIS_ID=-1&dgcid=STMJ_112262_EVNT_WEB&CMX_ID=&utm_in=DM681725&utm_source=AC_7&utm_term=112262_EVNT-WEB_SCO_NOAB_SINGLE_ALL
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Live Webinar with Frances Arnold (2018 Nobel Laureate)
New Trends and Future Directions in Catalysis
The field of catalysis in chemistry was historically dominated by the use of transition metal catalysts. Due to a unique set of properties, precious metals in particular have played an integral role in developing catalysts for new modes of chemical bond activation and formation. One major and inherent drawback of precious metals, however, is their scarcity; in order to transition chemistry to a more sustainable use of the world’s limited resources, finding alternative strategies for catalysis is a major driving force in contemporary research. In this spirit, this webinar will feature talks about four areas of sustainable catalysis from leaders in their respective fields, highlighting state-of-the-art approaches and providing guidance for future developments in these areas of research.
https://www.brighttalk.com/webcast/16651/407827?utm_campaign=STMJ_112262_EVNT_WEB&utm_medium=email&utm_dgroup=112262_SCO_NOAB_SGL_ALL&utm_acid=-964626667&SIS_ID=-1&dgcid=STMJ_112262_EVNT_WEB&CMX_ID=&utm_in=DM681725&utm_source=AC_7&utm_term=112262_EVNT-WEB_SCO_NOAB_SINGLE_ALL
Brighttalk
New Trends and Future Directions in Catalysis
The field of catalysis in chemistry was historically dominated by the use of transition metal catalysts. Due to a unique set of properties, precious metals in particular have played an integral role i...
A new type of chemical bond: The charge-shift bond
https://theconversation.com/amp/a-new-type-of-chemical-bond-the-charge-shift-bond-130087
https://theconversation.com/amp/a-new-type-of-chemical-bond-the-charge-shift-bond-130087
The Conversation
A new type of chemical bond: The charge-shift bond
The laws and principles of chemistry seem pretty set in stone. But as a chemist explains, the field is always evolving, including such fundamental principles as what is a chemical bond.