Potential Prebiotic Pathways in Extraterrestrial Atmosphere: A Computational Exploration of HCN and NH3 Reactions | ACS Earth and Space Chemistry pubs.acs.org/doi/10.1021/ac… Sunanda IIT Kharagpur🇮🇳 Digital University Kerala #compchem

Exploring the Theoretical Foundations of Thermally Activated Delayed Fluorescence (TADF) Emission: A Comprehensive TD‐DFT Study on Phenothiazine Systems - Banerjee - Chemistry – A European Journal …mistry-europe.onlinelibrary.wiley.com/doi/10.1002/ch… Moumita Banerjee IIT Kharagpur🇮🇳 Digital University Kerala #compchem

"#Congratulations to Sunanda Panda for successfully defending her #PhD thesis! Sunanda IIT Kharagpur🇮🇳

Structure of Small Yttrium Monoxide Clusters, Chemical Bonding, and Photoionization: Threshold Photoionization and Density Functional Theory Investigations - now in PCCP pubs.rsc.org/en/content/art… Thanks to Soumen Bhattacharyya for inviting me to this collaboration. Digital University Kerala

Riboflavin-Induced DNA Damage and Anticancer Activity in Breast Cancer Cells under Visible Light: A TD-DFT and In Vitro Study | Journal of Chemical Information and Modeling pubs.acs.org/doi/10.1021/ac…

Riboflavin-Induced DNA Damage and Anticancer Activity in Breast Cancer Cells under Visible Light: A TD-DFT and In Vitro Study #breastcancer #DFT pubs.acs.org/doi/10.1021/ac… Ranabir Majumder Shreya Banerjee Sayan Paul Anoop A #JCIM Vol64 Issue14 #ChemicalInformation

Asymmetric Total Synthesis of Naturally Occurring (R)-2′-Methoxydihydroartemidin, (R)-(E)-3′-Hydroxyartemidin, and Its Structural Congeners: Method Optimization and Mechanistic Analysis | The Journal of Organic Chemistry pubs.acs.org/doi/10.1021/ac…

π-Complexes Derived from Non-classical Diboriranes: Side-on vs. End-on Carbonylative Ring Expansion (Angewandte Chemie): onlinelibrary.wiley.com/doi/10.1002/an… (David Scheschkewitz).

A fascinating piece of review on antiaromaticity in molecular assemblies and materials from Dr Lavendomme Roy Lavendomme and Dr Yamashina 豊田研 Science Tokyo （東京科学大学） 👨‍🔬🧑‍🔬 👉pubs.rsc.org/en/content/art…

doi.org/10.1002/asia.2… Congrats Sandip Giri Moumita Banerjee

We touch the finish line of #MTIC2024. A big thanks to all the volunteers who tirelessly worked day & night for the event. We thank all the participants, sponsors, service depts. of IITKGP, & IIT Kharagpur🇮🇳 administration for all the support. See you all again on a different occasion!

New in Angewandte Chemie! 🚀 Lattice modulation boosts #TADF - driven PLQY of #SilverClusters to near-unity! Thanks, Di Sun for collaboration & Sayan Paul for #compchem work. Read more: doi.org/10.1002/anie.2… #Photoluminescence #SilverClusters

Here's a niche #Chemistry #ChemEd summary, assigning stereochemical descriptors to axial & equatorial chirality. I know some argue these phrases are meaningless, but they're terms used by synthetic chemists. I know others just hate stereochemistry (you weirdos)! Hope it is useful

Implicating the Role of Au-H Bonds in Photochemical N2 Fixation by Ruthenium-Doped Gold Clusters (Ankan Paul and co-workers Sayan Paul) • onlinelibrary.wiley.com/doi/10.1002/ch…

A simple guide to the design of metal complexes in luminescence and photoredox catalysis. With Giacomo Morselli and Christian Reber in J. Am. Chem. Soc.: pubs.acs.org/doi/10.1021/ja…

Accurate Prediction of ωB97X-D/6-31G* Equilibrium Geometries from a Neural Net Starting from Merck Molecular Force Field (MMFF) Molecular Mechanics Geometries pubs.acs.org/doi/10.1021/ac… Wavefunction, Inc. #JCIM Vol65 Issue5 #MachineLearning #DeepLearning

“No government—regardless of which party is in power—should dictate what private universities can teach, whom they can admit and hire, and which areas of study and inquiry they can pursue.” - President Alan Garber hrvd.me/GarberRespond3…

Paul Dirac on how to get good ideas: don't strive for them, be relaxed, go for a long walk.

SynTemp: Efficient Extraction of Graph-Based Reaction Rules from Large-Scale Reaction Databases pubs.acs.org/doi/10.1021/ac… #JCIM Vol65 Issue6 #compchem

Planarity Is Not Plain: Closed- vs Open-Shell Reactivity of a Structurally Constrained, Doubly Reduced Arylborane toward Fluorobenzenes | Journal of the American Chemical Society pubs.acs.org/doi/10.1021/ja…