Computational Chemistry | Naagarhttps://naagar.github.io/tags/computational-chemistry/Computational ChemistryHugo Blox Builder (https://hugoblox.com)en-usWed, 01 Oct 2025 00:00:00 +0000https://naagar.github.io/media/icon_hu7729264130191091259.pngComputational Chemistryhttps://naagar.github.io/tags/computational-chemistry/Leveraging high-spin DFT features for prediction of spin state gaps in 3d transition metal complexeshttps://naagar.github.io/publication/spin-state-gaps/Wed, 01 Oct 2025 00:00:00 +0000https://naagar.github.io/publication/spin-state-gaps/