Publications
Puthiyavalappil K. Arathi and Cherumuttathu H. Suresh (2025) | Hydroxy-substituted aromatic N-heterocycles as high-affinity CO2 adsorbents: a DFT study | Physical Chemistry Chemical Physics
https://doi.org/10.1039/D5CP01075F Hydroxy-substituted aromatic N-heterocycles, including hydroxy pyridine (py), dihydroxy naphthyridines (nt), and trihydroxy pyridonaphthyridines (pn), have been investigated for their
Announcements Archive
Inviting Applications (Scientist Positions) from Dynamic and Highly Qualified Ph.D. Holders in Theoretical and Computational Research with Expertise in Modelling, Simulations, or Data-Driven Studies
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Seminar/ Webinar
National Seminar on Computational Science and Festschrift Symposium Honoring Prof. Sridhar R. Gadre
The National Seminar on Computational Science and the Festschrift Symposium marking the 75th birthday of Professor Shridhar R. Gadre served
Publications
Mambatta Haritha, Sherin S. Ameena, and Cherumuttathu H. Suresh (2025) | Substituent Effects on NMR Chemical Shifts and Cyclic Hydrogen Bonding in 2‑Pyridone Dimers: An Accurate Approach to Hammett Constant Determination Linking Structure, Energetics, and Electron Distribution | Journal of Organic Chemistry
https://pubs.acs.org/doi/10.1021/acs.joc.5c00814 The Hammett substituent parameter (σₚ) is fundamental to physical organic chemistry but often suffers from inconsistencies in experimental determination
Announcements Archive
Result of the Post-Doctoral Interviews Conducted on 29 May 2025
Result of the Post-Doctoral Interviews Conducted on 29 May 2025 Click Here for Details