Computational study on the mechanism for the synthesis of the active pharmaceutical ingredients nitrofurantoin and dantrolene in both solution and mechanochemical conditions

Computational study on the mechanism for the synthesis of the active pharmaceutical ingredients nitrofurantoin and dantrolene in both solution and mechanochemical conditions / Galeas, Dayana M; Tolbatov, Iogann; Colacino, Evelina; Maseras, Feliu. - In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS. - ISSN 1463-9076. - (2024). [10.1039/d4cp01613k]