Ananya Sinha

Directional Roaming in Formaldehyde Revealed by Dynamics Simulations on a Machine-Learnt Potential

Abstract The photodissociation study of formaldehyde (HCHO) is a benchmark for unveiling different types of unimolecular reactions. The roaming mechanism in HCHO is one such reaction that has been of great interest to chemists. Here, we utilize a machine learning approach, combin...