Posted 2021-03-27Updated 2025-11-24Notes / Tools3 minutes read (About 500 words)Resonance Theory NotesNote for using WFRT/NRT methods. Analyze contribution of resonance structures. Understand different seperations of fragmental contribution to the structure. Read more
Posted 2021-01-27Updated 2025-11-24Notes / Toolsa few seconds read (About 81 words)Spin Density in NPANote about how to read spin density from Gaussian pop=NBO outputRead more
2023-06-28RefNote: The evolution of multiple active site configurations in a designed enzyme KE07 & Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 SeriesRefs / Enzyme