CompCatLab's profile picture. Computational Quantum Chemist, Associate Professor at IIT Mandi, HP, India

Bhaskar Mondal

@CompCatLab

Computational Quantum Chemist, Associate Professor at IIT Mandi, HP, India

Bhaskar Mondal сделал(а) репост

Heartiest congratulations to all graduates of IIT Mandi’s 13th Convocation! Wishing you success as you begin new journeys. 📹 A glimpse of your journey. #IITMandi #Convocation #ProudMoment youtu.be/5fL66AL1Sj4?si…

iit__mandi's tweet card. “Journey at IIT Mandi: Scaling the Heights”

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“Journey at IIT Mandi: Scaling the Heights”


Bhaskar Mondal сделал(а) репост

Happy to share our latest work on redox-neutral C-H annulation, now published in The Journal of Organic Chemistry @JOC_OL. Many thanks to @ANRFIndia for their generous financial support. pubs.acs.org/doi/10.1021/ac…


Bhaskar Mondal сделал(а) репост

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…

Dir_IIT_Mandi's tweet image. 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 this exciting piece on Enzymatic Craftsmanship in Collagen Glycosylation. Kicking off wonderful collab with @dkumar02 @CompCatLab ..Thanks to @ANRFIndia and @DBTIndia to fund in understanding the role of collagen PTMs . Thanks to @Dir_IIT_Mandi nature.com/articles/s4146…



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…


Bhaskar Mondal сделал(а) репост

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…

Discussion started with @CompCatLab during covid, developed a joint program and kudos to @j__ashutosh for Decoding stereo-electronic effects of collagenenous prolyl-4-hydroxylation Inspired by Prof. Raines @ChemistryMIT Funding @ANRFIndia and @DBTIndia cell.com/iscience/fullt…



Congratulations 🙌 Prof. Kaustav Mukherjee and Team for this remarkable feat👏

Short-Range Magnetic Correlations and Thermally Assisted Spin Tunnelling in Distorted Diamond Lattices RTaO4 (R = Tb and Dy) | Journal of the American Chemical Society @iit__mandi pubs.acs.org/doi/10.1021/ja…



Bhaskar Mondal сделал(а) репост

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

D_A_Pantazis's tweet image. 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

Bhaskar Mondal сделал(а) репост

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

Check out our recent paper "Role of ancillary ligands in S-nitrosothiol and NO generation from nitrite–thiol interactions at mononuclear zinc(ii) sites" pubs.rsc.org/en/content/art… Congratulations to the team!!



Bhaskar Mondal сделал(а) репост

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…


Bhaskar Mondal сделал(а) репост

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…

maiti_iitb's tweet image. 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…


Bhaskar Mondal сделал(а) репост

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

faccts_orca's tweet image. 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…


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