Tutorial 22 | How to Use Isotopes in Gaussian Calculations | Dr M A Hashmi
In Tutorial 22, Dr. M. A. Hashmi explains how to use isotopes in Gaussian calculations for computational chemistry.
Learn how to modify atomic masses and assign specific isotopes to atoms in your molecule within GaussView or directly in the Gaussian input file. This tutorial helps you understand how isotope substitution affects vibrational frequencies, zero-point energies, and molecular properties — essential for isotope effect studies and accurate theoretical modeling.
Perfect for students and researchers who want to explore isotopic labeling, kinetic isotope effects (KIE), and vibrational analysis using Gaussian.
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