Completely Computational Model Setup for Spectroscopic Techniques : The Ab Initio Molecular Dynamics Indirect Hard Modeling Approach

Wöhl, Justus; Kopp, Wassja Alexander; Yevlakhovych, Iryna; Bahr, Leo Alexander; Koß, Hans-Jürgen; Leonhard, Kai (Corresponding author)

Washington, DC : American Chemical Society (2022)
Journal Article

In: The journal of physical chemistry / A
Volume: 126
Issue: 18
Page(s)/Article-Nr.: 2845-2853