UV-Visible Analysis 🌈 Step-by-Step | TDDFT Spectrum using GaussView + Gaussian + GaussSum

Welcome to the Computational Chemistry Course – a complete guide from beginner to advanced level! 🚀
Learn UV-Visible (UV-Vis) spectral analysis step-by-step using GaussView, Gaussian, and GaussSum in this detailed tutorial! 🎯

In this video, you’ll explore how to perform TDDFT (Time-Dependent Density Functional Theory) calculations in Gaussian, prepare input files in GaussView, and generate UV-Vis spectra using GaussSum for visualization and peak interpretation.

You’ll also understand how molecular orbitals, excitation energies, and oscillator strengths relate to absorption peaks — essential concepts for computational chemists, PhD scholars, and materials scientists.

📍 Topics Covered:

Setting up TDDFT input in GaussView
Running UV-Vis calculations in Gaussian
Importing output files into GaussSum
Plotting and modifying UV-Vis spectra
Understanding electronic transitions (HOMO → LUMO, etc.)
Analyzing absorption peaks & transition energies

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Видео UV-Visible Analysis 🌈 Step-by-Step | TDDFT Spectrum using GaussView + Gaussian + GaussSum канала CompChem Hub