Willkommen an Bord! Prof. Lisa Vondung unterstützt den Fachbereich Chemie@UHH der UHH - MIN-Fakultät, indem sie die Elemente des f-Blocks im Periodensystem erforscht. Dabei möchte sie speziell für abgereichertes Uran sinnvolle Anwendungen finden: uni-hamburg.de/newsroom/campu…

If you want to speed up your calculations or to compute large molecules at DFT/WFT quality, try out the ONIOM scheme implementation in xtb. #CompChem pubs.rsc.org/en/content/art…

Excited to announce that in some months I will join the Nature Chemistry team! 🤩🎉 My team Nature Communications is looking for an editor with a background in molecular inorganic/coordination chemistry. DM me if you have questions! #chemtwitter #PublishingJobs careers.springernature.com/job/Shanghai-A…

A PhD position (FPI, four years) in Computational Biochemistry and Biocatalysis is open in the group of Marc Garcia-Borràs (Marc Garcia-Borràs) and Ferran Feixas (Ferran Feixas) at the IQCC UdG DiMoCaT_IQCC TCBioSys Universitat de Girona #compchem

Rahul's work on the activation of N2 with Mg(I) radicals is just out in Angewandte Chemie. We've been trying to do this for 10 yrs. The Mg-N2 cmpd is a great 2 e- reductant towards CO, H2 and C2H4. accessing N-organics is the next goal. #ozchem Monash Science tinyurl.com/2s3mwcd5

DIVERSE REACTIVITY of a Ca(II) complex with a bridging, anti-aromatic C6H6(2-) anion is shown. It reacts either as a Ca(I) SYNTHON delivering 2e, a nucleophile or a Bronsted base and is much more reactive than Mg(I) complexes. EurJIC …mistry-europe.onlinelibrary.wiley.com/doi/10.1002/ej…

Don't miss our upcoming webinar from Jonathan Wong this Thursday, July 27, at 10AM PDT! He'll be discussing his work implementing GIAO methods for calculating NMR shieldings (newly available in Q-Chem 6.1). Read the abstract and register here: bit.ly/3O5fK2S

Out now in Chem. Commun. and picked as a HOT! article. The synthesis of phosphorus derivatives of mesoionic carbenes! Awesome work by Lea and Müller Group Berlin. Congrats to all involved doi.org/10.1039/D3CC03…

Our latest work makes PN adamantane cages easily accessible + studies their oxidation kinetics. Congrats to lead author Dr. Michael Land and team incl. SMU Chemistry's Jason Masuda (he/him)! Thanks @ChemAsianJ for the invite + selecting this as a VIP! Dalhousie Chemistry onlinelibrary.wiley.com/doi/abs/10.100…

Our minireview article on dearomatization of C6 aromatic hydrocarbons by main group compounds is out in Chemistry! Congrats to Huaiyuan and all the team! …mistry-europe.onlinelibrary.wiley.com/doi/10.1002/ch…

Check out this open access Hot article from Christian Müller and first author Lea Dettling on phosphorus derivatives of mesoionic carbenes 🔥🔓 Müller Group Berlin buff.ly/3s4ANex

Tetrastanna(II) Cyclic Crown...gorgeous crown! Thanks EurJIC …mistry-europe.onlinelibrary.wiley.com/doi/abs/10.100… Thanks to all involved co-authors.

Today in Organometallics: Heteronuclear and Homonuclear Bimetallic Metallocenes of Alkaline Earths and Zinc, by Gosch and Wilson. This computational study provides insights on the structure and bonding for heteronuclear and homonuclear bimetallic metallocenes pubs.acs.org/doi/10.1021/ac…

Don't miss this upcoming webinar from Mathew Chow! He will discuss recent developments within the NEO family of methods in Q-Chem, with a particular focus on NEO-PCM and NEO-QM/MM. Register here: bit.ly/3OCygzY

We are looking for a new PhD student in the field of molecular electrochemistry for CO2 reduction ⚡️🧪. The project is part of the CRC 1073 on energy conversion. Requirements and details on the application procedure can be found here: uni-goettingen.de/de/644546.html…

Want to do a joint Monash, Aust (Jones)/ Bath, UK (Hill) PhD on making N-organics from N2 with sustainable Mg cmpds? Check out project 3 tinyurl.com/ywu8r8xj and submit an EoI by Nov 4th at tinyurl.com/3wzumh94. More info at tinyurl.com/58zaajs2 + tinyurl.com/46apt2jz

We are looking for a PostDoctoral Researcher! Come and join Christian in Uni Magdeburg The candidate will have to teach in German. A strong background in molecular inorganic chemistry would be ideal! Position is limited to 1 year! #31p #phosphorus ovgu.b-ite.careers/fkxtd

REVIEW just out in Nature Reviews Chemistry on latest developments in Ca Grignard's and beyond: ball-milling synthesis (Ito) Hajime Ito in-situ use of Ca Grignards (Westerhausen), spectacular reactivities etc… Its free: rdcu.be/dqvn4 More to come of the heavy triad Ca-Sr-Ba soon!

It is just beautiful 🤩. Congratulations!

In this paper, the authors glean more info from ALMO-EDA by breaking down the POL terms into fragment-wise contributions. This feature is integrated with Q-Chem's EDA2, available in Q-Chem 6.1! pubs.acs.org/doi/10.1021/ac… Want to try it out? Request a demo: q-chem.com/try/