"Fukui Function Explained with NBO Analysis | Easy Tutorial"
Автор: EduNirmal
Загружено: 2025-11-20
Просмотров: 57
In this video, I explain how to perform Fukui function analysis using NBO (Natural Bond Orbital) results. This method helps identify reactive sites, nucleophilic/electrophilic regions, and the chemical reactivity of molecules using DFT calculations.
Whether you are a beginner or doing advanced computational chemistry research, this tutorial will guide you step-by-step in a simple way.
🔍 What You Will Learn
What the Fukui function is
How to calculate f⁺, f⁻, and f⁰ values
How to extract required data from NBO analysis
How to interpret molecular reactivity from Fukui functions
How to identify nucleophilic and electrophilic attack sites
🧪 Software/Methods Mentioned
DFT calculation
Gaussian
NBO analysis
Population analysis
Reactivity descriptors
📘 Who Should Watch
Students doing DFT research
Beginners in computational chemistry
Researchers working on molecular reactivity
Anyone learning Fukui or NBO analysis
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