Week 23
Speaker: Bente S. Barge
Title: Creating a reliable reference reaction for Empirical Valence Bond Theory
Short description: In this talk, I will give an introduction to Empirical Valence Bond Theory (EVB) and the fundamental role of a reference reaction within the framework. Additionally, I will present REACT (https://github.com/chemREACT/REACT), a graphical user interface for preparing and post-processing reference reaction calculations.