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Our work is focused on the investigation and modeling of catalytic activities, in molecules and materials, with an aim of contributing to (i) human healthcare and (ii) green & sustainable chemistry. In our group we mainly utilize density functional theory (DFT) to provide an unambiguous picture of the reaction mechanism to provide insights for design and development of systems with higher efficacy and optimum reactivity. Our primary research interest lies on:
Bio-inspired homogeneous catalytic reactions
Small molecule activations
Storage materials for alternative fuels
Non-covalent interaction guided catalysis and self-assembly
Congratulations to Ajeet for another collaborative work on self-assembly and gelation of Naphthalimides published in The Journal of Physical Chemistry B.
Lisa collaborates to understand the photochemistry of electron donor–acceptor (EDA) complex between NaI/PPh3, TMEDA, and alkyl NHPI ester, published in Organic Letters.
Lisa writes a popular science article on CO2 reduction for the German Bunsen Society for Physical Chemistry
Ajeet publishes his dicyano aryl based AIEgen work in Chemical Communications; Lisa collaborates for Pd(II)-Catalyzed Oxidative Naphthylation in Organic Letters
A warm welcome to Praseetha who joins the group as a project Junior Research Fellow.
Congratulations to Ajeet and Sanat for two great papers in JACS and Journal of Organic Chemistry! Many more to come.
Lisa joins the Early Career Advisory Board of ChemPhysChem (Chemistry Europe/Wiley) in addition to continuing in the advisory board of ChemPlusChem.
Lisa published a collaborative work on Zn-catalyzed N-Alkylation of Amines with Alcohols Using Redox Non-innocent Ligand in Journal of Organic Chemistry
Congratulations to Ajeet for publishing a much-awaited collaborative work on supramolecular helicity in The Journal of Physical Chemistry B
Lisa published a collaborative work on visible light-driven organo-photocatalysis in Organic Letters
Lisa gave an invited talk; Sanat presented a poster at Designing Catalysts on Computers - 2022.
Congratulations to our research intern Dishan for publishing a work on water-assisted self-assembly of polyurethane in ACS Applied Polymer Materials
Lisa presented a Keynote Lecture at Advances in Carbon Dioxide Capture & Utilization for Sustainable Climate (ACCUSC – 2022) organized by NIT Rourkela
Sanat and Prativa joins the group as PhD research scholars. Congratulations!
Congratulations to our research intern Anmol for publishing a paper in Polymer Chemistry on supramolecular cross-linking in polyurethane and its host-guest chemistry!
Dishan joins as a Summer Intern. Welcome!
Congratulations to Ajeet for publishing a collaborative work on predominance of dipolar interactions over hydrogen-bonding in the self-assembly of merocyanine dye in ChemNanoMat. Keep up the good work!
Congratulations to Pousali for getting a PhD position at Ariel University Israel.
Congratulations to Sanat for getting an ACS Best Poster Prize at NCMMS 2022. Well done!
Lisa presented her views on ChemPlusChem's 10th Anniversary Editorial
Lisa's collaborative work on Supramolecular Assemblies of Melamine- and Imidazole-Based Dynamic Building Blocks is now published in JACS
Lisa's collaborative work on O2 activation by copper salts is accepted in Angewandte Chemie
Lisa's collaboration on allylation of N-tert-butane by boronic acid is published in Chemical Science
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