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Congratulations to my PhD student Parveen Rawal for his paper in Chemistry - A European Journal Chemistry Europe. Thanks to Science and Engineering Research Board - SERB SERB and IIT Roorkee IIT Roorkee for the support. …mistry-europe.onlinelibrary.wiley.com/doi/epdf/10.10…

Congratulations to my PhD student Sumangla Arora for her paper in Chemistry - An Asian Journal Chemistry Europe @ChemAsianJ . Thanks to Science and Engineering Research Board - SERB SERB and IIT Roorkee IIT Roorkee onlinelibrary.wiley.com/doi/10.1002/as…

Prospective applicants who are keen on undertaking a PhD in Computational Catalysis and Energy are encouraged to apply. Interested candidates can write to [email protected] for further assistant. puneetguptaiitroorkee.co.in/home

Dive deep into the complexities of iron catalysis featuring non-innocent pyridine diimine ligands! This work unveils insights into the challenges and alternative solutions in this fascinating realm. Nikunj Kumar Computational Catalysis Center (@Puneet Gupta) IIT Roorkee go.acs.org/9iw

Thanks the Journal of Physical Chemistry.

Excited to reveal the cover art for my latest manuscript: 🎨🔍 Dive into the details here: doi.org/10.1021/acs.jp…. For more, visit: pubs.acs.org/toc/jpcafh/128… Computational Catalysis Center (@Puneet Gupta) ACS for Authors #MyACSCover

Thanks @[email protected] for publishing our work.

Congratulations to my PhD student Parveen Rawal for the Cover in Chemistry - A European Journal from Chemistry Europe. Thanks to Wiley Chemistry, Chemistry for accepting the Cover free of charge. Support from SERB, IIT Roorkee, Ministry of Education and DSTIndia

#OnTheCover Modelling on a Biomimetic [Cu-O-Cu]2+-mediated Methane-to-Methanol Conversion Unveils the Site for Methane Activation (Puneet Gupta and co-workers) onlinelibrary.wiley.com/doi/10.1002/as… Computational Catalysis Center (@Puneet Gupta) Sumangla Arora onlinelibrary.wiley.com/doi/10.1002/as…

Growing up in the cricket era, I only read about the great Indian hockey team led by Dhyan Chand in Manorama Year Books. However, witnessing the real thrill of the game for the first time was an incredible experience. Well played, boys!

AN unique opportunity for students.

> First batch of students have been selected. We will call the next batch soon. Keep applying! > Topics covered this time: ChemCraft (build computational models), ORCA (Optimization & Transition State Search) > The workshop will continue throughout the year with new topics.

Check out our collaborative work on "Metal-free Borylation of α-Naphthamides and Phenylacetic Acid Drug " with Debabrata Maiti group, now published in John Callahan Au. pubs.acs.org/doi/10.1021/ja…. IIT Roorkee IIT Bombay

sciencedirect.com/science/articl…. Congrats to Nikunj Kumar for his computational catalysis paper in Journal of Catalysis. Thanks to Science and Engineering Research Board - SERB SERB and IIT Roorkee IIT Roorkee.

Second Paper in this Week: Congratulations to Shivangi for her computational catalysis paper in Wiley Chemistry ChemPlusChem Chemistry Europe. Thanks to IIT Roorkee , and SERB . …mistry-europe.onlinelibrary.wiley.com/doi/abs/10.100…

Applications are invited for admission to PhD programme at IIT Roorkee. admission.iitr.ac.in/#/account/logi… . Our web webpage: puneetguptaiitroorkee.co.in/home) . Our group is looking for motivated students who have qualified GATE or CSIR/UGC exams. Note that the deadline is 1st November 2024.

The Department of Chemistry, IIT Roorkee, has announced the list of candidates shortlisted for the Ph.D. program in Chemistry for the Spring 2025 semester. Please visit the department website to check your name. cy.iitr.ac.in

Picture of my research group IIT Roorkee with Prof. Maiti Debabrata Maiti. Thank you Prof. Maiti Debabrata Maiti for visiting IIT Roorkee and delivering an exciting research talk in our department.

It was a great pleasure to host students from NIT Uttarakhand to our Catalysis Lab IIT Roorkee for two days training in Computational Catalysis.

The Chemistry Department at the Indian Institute of Technology, Roorkee, is accepting PhD applications for the autumn semester 2025-2026. In case you are interested in our computational chemistry research (lnkd.in/gWaH5Af6), write to [email protected]