Tutorial 13 | Natural Bond Orbitals (NBO) Data Analysis Explained | Dr M A Hashmi
In this tutorial, I provide a detailed guide on analyzing Natural Bond Orbital (NBO) results in Gaussian. Learn how to carefully read and interpret the NBO log file, including:
Atomic charges and population analysis
Hybridization of orbitals
Donor–acceptor interactions and stabilization energies
Second-order perturbation analysis (E2 energies)
Wiberg bond indices (WBI) and bond order insights
This in-depth session will help you understand the chemical meaning behind the NBO output and connect it to bonding, stability, and electronic structure. Perfect for researchers and students working with Gaussian, DFT, and quantum chemistry.
🗣️ Language: Urdu/Hindi — English captions available
✅ 📲 Follow & Connect with Dr. M. A. Hashmi:
🌐 Website: https://comp-chem.netlify.app
📘 Facebook: / wisdomcenterbydrhashmi
📸 Instagram: instagram.com/hashmi_photography
🔔 Subscribe for more tutorials on Gaussian, GaussView, DFT, computational chemistry, and molecular modeling!
#ComputationalChemistry #DFT #Gaussian #NBO #NaturalBondOrbitals #BondIndices #MolecularModeling #DrMAHashmi