CCL@IISc @JindalLab
We are the Computational Chemistry Lab (CCL) at IISc Bengaluru, Department of Organic Chemistry. Student run Twitter profile. compchemlab2019.wixsite.com/mysite Bangalore Joined November 2021-
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Out now in @InorgChem! We reveal a previously unexplored triplet-state pathway in dirhodium tetracarboxylates facilitating phosphine ligand isomerization & orthometalation under mild conditions. Congrats @MaheshHarariya @Narmatha57 and @BibhasBorah doi.org/10.1021/acs.in…
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Congratulations to Ritwika @chatt_ritwika on successfully defending her PhD thesis! We sincerely thank Prof. Ankan Paul for graciously conducting the viva voce examination, and Prof. Dean Tantillo @TantilloLab for his thorough and meticulous review of the thesis.
New study out now in @JCIM_JCTC : QM/MM reveals the origin of stereodivergence in CALB-catalyzed transacylation tuned by noncovalent interactions. Congrats @MaheshHarariya and @balhara_reena! pubs.acs.org/doi/10.1021/ac…
Study from the group now out in @J_A_C_S: Engineered myoglobin reduces ketones via stepwise MHAT + PCET, clarifying elusive Fe–H intermediates. Axial ligands/electric fields tune reactivity—guiding new metalloenzyme design. Congrats @chatt_ritwika! pubs.acs.org/doi/10.1021/ja…
Our paper challenging the mechanism of Cu-catalyzed carbene insertion into N-H, O-H, & S-H bonds is published in JACS Au! 🎉 Congrats to co-first authors @arushiaol & @kritigu17669152! Thanks to @serbonline for funding! Read it here: pubs.acs.org/doi/full/10.10…
Congratulations to Reena @balhara_reena on successfully defending her PhD thesis! We sincerely thank Prof. Kumar Vanka @KumarVanka1 for graciously conducting the in-person thesis viva at @iiscbangalore, and Prof. Dean Tantillo @TantilloLab for his thorough review of the thesis.
CCL@IISc retweeted
I’m delighted to share that I’ve been selected as one of the participant to attend the 74th Lindau Nobel Laureate Meeting in Chemistry to be held in Lindau, Germany. This is an incredible opportunity to engage with Nobel Laureates and to learn from the best in the field #LINO25
@HariGroupIISc @arushiaol @AnubhavGoswami6 @ArkoSeal Thanks a lot! @HariGroupIISc
Our latest study unveils a crossover between conventional cross-coupling & carbene insertion pathways in a Pd-catalyzed C(sp²)–H insertion using experimental & computational tools. Congratulations @arushiaol Kritika @AnubhavGoswami6 @ArkoSeal Mayuk ! pubs.rsc.org/en/content/art…
@LabMukherjee @arushiaol @AnubhavGoswami6 @ArkoSeal Thanks a lot! @LabMukherjee
An account detailing our research on metal-associated enols as key intermediates in controlling enantioselectivity in carbene insertion reactions is now available online. Congratulations @DevDodiya2 @MaheshHarariya ! thieme-connect.com/products/ejour…
Pleased to share our recent publication in @ACSCatalysis revealing the pivotal role of the intrinsic electric field in driving the catalytic efficiency of fumarase and insights into enzymatic olefin hydration. Congratulations @chatt_ritwika @balhara_reena pubs.acs.org/doi/10.1021/ac…
@funbiomats @ACSCatalysis @chatt_ritwika @balhara_reena Thank you @funbiomats !
@RCD07_IISC @ACSCatalysis @chatt_ritwika @balhara_reena Thank you Rohan!
@IamSubhendu7 @ACSCatalysis @chatt_ritwika @balhara_reena Thank you Subhendu!
@deeptanu_2 @ACSCatalysis @chatt_ritwika @balhara_reena Thank you Deeptanu!
@MedhaAggarwal4 @ACSCatalysis @chatt_ritwika @balhara_reena Thank you Medha !
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