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

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

Amazing slow motion video catches hydrogen flames going fractal | Research | Chemistry World
https://www.chemistryworld.com/news/amazing-slow-motion-video-catches-hydrogen-flames-going-fractal/4011737.article

Scientists break the link between a quantum material's spin and orbital states
https://phys.org/news/2020-05-scientists-link-quantum-material-orbital.amp

Unraveling the “Magic” Magnetism of a Triangular Graphene Flake – SciTechDaily
https://scitechdaily.com/unraveling-the-magic-magnetism-of-a-triangular-graphene-flake/amp/

Catalyst breaks only molecules’ toughest C–H bonds | Research | Chemistry World
https://www.chemistryworld.com/news/catalyst-breaks-only-molecules-toughest-c-h-bonds/4011772.article

The five reactions on every organic chemist’s wish list | Research | Chemistry World
https://www.chemistryworld.com/news/the-five-reactions-on-every-organic-chemists-wish-list/3010150.article

Molecular dynamics used to simulate 100 million atoms | Opinion | Chemistry World
https://www.chemistryworld.com/opinion/molecular-dynamics-used-to-simulate-100-million-atoms/4011739.article

ChemDraw 19.0 (password to unpack is 123):
https://drive.google.com/file/d/1vRC-6gcbnotgpjZ8-alH-elVqddcz7LT/view?usp=sharing

Scientists solve half-century-old magnesium dimer mystery
https://phys.org/news/2020-05-scientists-half-century-old-magnesium-dimer-mystery.amp

‘Molecular movie’ shows how electrons rearrange to kick-off a chemical reaction – Physics World
https://physicsworld.com/a/molecular-movie-shows-how-electrons-rearrange-to-kick-off-a-chemical-reaction/

0401 - Ab Initio Hartree-Fock Theory Basis Sets and Wave Functions

0402 - Post-Hartree-Fock Theory Electron Correlation

0403 - Post Hartree-Fock Theory Perturbation and Coupled-Cluster Theory

Synthesis of proteins by automated flow chemistry | Science
https://science.sciencemag.org/content/368/6494/980

0404 - From Electronic Energies to Thermodynamics

0405 - Benchmarking Post-Hartree-Fock Wave Function

0406 - Open-Shell Calculations Unpaired Electrons

We would like you to be informed of the release of ConstruQt Beat 1.1. (construqt.chemalive.com) - high throughput quantum chemistry as freemium SaaS.

Please try it out here:

app.chemalive.com

Here are the new features in 1.1:

Major Changes:

- New Enumerate Button: Allows the user to display all tautomers and chiral forms of their molecule and select which one(s) to stage for computation.

- New Search Button: Allows users to build libraries by similarity or substructure by connecting to the Chem-space Real DB (www.chem-space.com).

- Library Tagging: Requires tagging of libraries according to intended domaine (according to ACS subsections).

Small Changes:
- All molecules are visible in SVG with the option to copy SMILES.
- Basic info on each molecule is now available in the staging area.
- Formatting and other fixes.

Please do let us know what you think by response or fill out our survey:

https://www.surveymonkey.com/r/5L9TMNX

Future Releases:

- Advanced 2D and 3D fingerprint analytics and graphical representation.
- More enumeration and library building tools.
- Scoring and prioritization for purchasing fine chemicals.
- Density Functional Theory and solvation

Best regards,

Dear all,

The Brazilian Materials Research Society (B-MRS/ SBPMat) is promoting a series of webinars on research and teaching techniques and instruments, focused on Materials Science and Engineering and related areas.

Free of charge, the webinars will take place throughout the months of June, July and August this year, and will be given in Portuguese or English, depending on the webinar, by professionals from B-MRS partner companies, specialists in these techniques.

The online seminars will be held on the B-MRS Zoom platform and B-MRS Facebook.

Registration for all webinars is now open.

The list of all seminars, as well as instructions on how to participate, are available here: https://www.sbpmat.org.br/en/lives-webinars/.

We hope the program will be fruitful for you.
Best regards, B-MRS Team