ICCLab_Andrada

@CoburgerPeter Congratulations Peter!

I am over the moon to announce that my Emmy Noether proposal „CarPhoSCat“ got approved and funded. This gives us a great opportunity to develop catalytic processes using our exotic biradicaloid ligand systems. 🥳🥳🥳 Two PhD positions are available, so please spread the word!

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/

It is just beautiful 🤩. Congratulations!

REVIEW just out in @NatRevChem on latest developments in Ca Grignard's and beyond: ball-milling synthesis (Ito) @haj19932469 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!

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 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…

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

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

@DavidJDWilson Wonderful work Dave, congratulations!

🚨New paper! Comp study of bimetallic metallocenes, including recently isolated CpBeBeCp (reported in Science while our paper was under review!) Fascinating molecules with potential new alkaline earth bonding. QTAIM explains reducing nature of CpBeBeCp. pubs.acs.org/doi/10.1021/ac…

Today in @Orgmet_ACS: 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…

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

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

Our latest work makes PN adamantane cages easily accessible + studies their oxidation kinetics. Congrats to lead author Dr. @MikeL4nd and team incl. @SMUChemistry's @jasonmasuda! Thanks @ChemAsianJ for the invite + selecting this as a VIP! @DalhousieChem onlinelibrary.wiley.com/doi/abs/10.100…

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

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

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…

Rahul's work on the activation of N2 with Mg(I) radicals is just out in @angew_chem. 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

A PhD position (FPI, four years) in Computational Biochemistry and Biocatalysis is open in the group of Marc Garcia-Borràs (@MarcGBQ) and Ferran Feixas (@ferranfeixas) at the @IQCCUdG @DIMOCAT_iqcc @TCBioSys @univgirona #compchem

Excited to announce that in some months I will join the @NatureChemistry team! 🤩🎉 My team @NatureComms 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…