Bhaskar Mondal @CompCatLab
Computational Quantum Chemist, Associate Professor at IIT Mandi, HP, India compcatlab.com Joined December 2019-
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An expert committee comprising Prof. Krishna P. Kaliappan (@iitbombay), Prof. Siddhartha Pandey (@iitdelhi), Prof. Ashok Kumar Mishra (@iitmadras) & Prof. Rakeshwar Bandichhor (@drreddys) reviewed the School of Chemical Sciences @iit__mandi. The panel evaluated the school’s…
How does a Cu-complex featuring a redox-active ligand stabilize the nitrene radical to promote efficient N–N coupling? Check out our joint work with Dr. Nanda D. Paul's group published in @angew_chem. #metalnitrenes #electronicstructure onlinelibrary.wiley.com/doi/10.1002/an…
Check out our commentary in @NatureComms on how enzymes sculpt collagen through O-glycosylation. Excited for the journey ahead and the discoveries to come with @trayambakbasak and @dkumar02.
Check out our commentary in @NatureComms on how enzymes sculpt collagen through O-glycosylation. Excited for the journey ahead and the discoveries to come with @trayambakbasak and @dkumar02.
Why do Fe(III)-metalloporphyrins require a one-electron reduction to enable nitrene transfer via Fe-imido intermediates? We decode this redox-driven transformation in our latest work in @InorgChem. Thanks to @ANRFIndia and @iit__mandi for support. pubs.acs.org/doi/10.1021/ac…
How does the electronic structure of tetragonal Fe-Oxo complexes govern HAT vs PCET mechanisms in C–H oxidation? Check out our recent work in @InorgChem. pubs.acs.org/doi/10.1021/ac…
Excited to share our work in @JACS_Au with @CompCatLab, "Unconventional Ring-Opening of Anthranils for Intramolecular C–H Amination." Congratulations to @YogeshAher1994 and @GhoshSusovon9. Thanks to @ANRFIndia and @Dir_IIT_Mandi for financial support. pubs.acs.org/doi/10.1021/ja…
Unique metal–nitrogen bonding sparks unconventional anthranil ring-opening, yielding diverse N-heterocycles. Check out our latest work with @PABLAB_iitmandi in @JACS_Au pubs.acs.org/doi/10.1021/ja…. Thanks to @Dir_IIT_Mandi and @ANRFIndia for financial support.
Thrilled to share: the electronic-level detail of collagen prolyl-4-hydroxylation revealed! A fantastic start to our thriving joint research program with @trayambakbasak. Brilliant work by @j__ashutosh – full speed ahead. doi.org/10.1016/j.isci…
Thrilled to share: the electronic-level detail of collagen prolyl-4-hydroxylation revealed! A fantastic start to our thriving joint research program with @trayambakbasak. Brilliant work by @j__ashutosh – full speed ahead. doi.org/10.1016/j.isci…
Congratulations 🙌 Prof. Kaustav Mukherjee and Team for this remarkable feat👏
Congratulations 🙌 Prof. Kaustav Mukherjee and Team for this remarkable feat👏
The next Quantum Bio-Inorganic Chemistry meeting is taking place in Berlin, August 26-29, 2025. Amazing lineup of speakers already! Registration is now open: hu.berlin/qbic
Experimental Definition of the S = 1 π vs S = 2 σ Reactivity and S = 2 Character in the Ground State of an S = 1 FeIVO Complex | Journal of the American Chemical Society @SLAClab @StanfordUChem @Stanford #FeIVO #Reactivity #S2Character pubs.acs.org/doi/10.1021/ja…
Ancillary ligand plays a deterministic role in S-nitrosothiol and NO generation from nitrite–thiol: Check out our joint work with @SKLab_IISERTvm published in @ChemicalScience
Ancillary ligand plays a deterministic role in S-nitrosothiol and NO generation from nitrite–thiol: Check out our joint work with @SKLab_IISERTvm published in @ChemicalScience
Excited to share our latest research from @CompCatLab on the role of a redox-active ligand in the nitrene transfer reaction! Discover how we reveal the Cu-nitrenoid intermediate's role in aziridination. Now in @ChemCatChem! Read it here: …mistry-europe.onlinelibrary.wiley.com/doi/abs/10.100…
Out in @NatureComms : Urea-based H-bond donors with nitrile directing groups for meta-C-H functionalisation of nitroarenes. Congrats to @DuttaBish20698 and @_animesh_ghosh A big thanks to our collaborators @rafkow2d and @CompCatLab with @dm_lab. doi.org/10.1038/s41467…
Check out our collaborative work on "hydrogen bonding template enabled remote meta-C–H alkenylation of nitroarenes" with @maiti_iitb group, now published in @NatureComms. nature.com/articles/s4146…
ORCA6 release tomorrow! 🥳 The links for the release event are already here: kofo.mpg.de/events/38693/2… We put a lot of effort there and hope you can make the best out of it. Please also join the ORCA forum for more detailed discussions: orcaforum.kofo.mpg.de #compchem #ORCA6
Open-shell reactivity of a closed-shell iron(IV)-oxo complex: check out our recent paper in @InorgChem for the geometry-driven multi-state reactivity of tetra-coordinated iron-oxo complexes. Thanks to @iit__mandi and @serbonline. pubs.acs.org/doi/10.1021/ac…
We are looking for Research Associates (RA)/Senior Project Scientists. Please follow the advertisement and IIT Mandi "Current Opening Page" for details. iitmandi.ac.in/recruitment/Ad…
Check out this exciting work by @Schoenebeck_Lab on stereomutation of vinylcyclopropanes via metalloradical catalysis. Published in @Nature.
Check out this exciting work by @Schoenebeck_Lab on stereomutation of vinylcyclopropanes via metalloradical catalysis. Published in @Nature.
@iit__mandi and @IITJammu invite applications for Phd admissions under the Joint Degree Program. Apply now.. alliance.iitmandi.ac.in/iitjammu/
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