Instituto Federal Sul-rio-grandense

Isostructural Analysis in Proposed Crystallization Mechanisms at the Molecular Level of Methyl 4‐bromobenzoate and Methyl 4‐iodobenzoate

ABSTRACT In this work, we propose molecular‐level crystallization mechanisms, based on non‐classical nucleation theory, using theoretical supramolecular energetic and topological data. The interactions calculated by computational tools were verified and energetically classified b...