🔬 ELF Analysis 🚀 Step-by-Step | Visualize Electron Localization in Gaussian + Multiwfn
Автор: CompChem Hub
Загружено: 2025-10-07
Просмотров: 598
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Welcome to the Computational Chemistry Course – a complete guide from beginner to advanced level! 🚀
Learn ELF (Electron Localization Function) Analysis step-by-step using Gaussian & Multiwfn in this detailed tutorial.
This video explains how to generate the ELF file from Gaussian output, analyze electron localization in Multiwfn, and visualize bonding and lone pair regions.
You’ll understand how ELF reveals electron density distribution, bonding nature, and chemical reactivity — essential for quantum chemistry, molecular modeling, and materials science research.
📍 Topics Covered:
What is ELF and why it’s important
How to prepare .fchk of Gaussian
ELF calculation and modification in Multiwfn
3D visualization of ELF maps in multiwfn
Interpretation of electron localization
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