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
Institutions
- Chair and Institute of Technical Thermodynamics [412110]
Identifier
- DOI: 10.1021/acs.jpca.2c01061
- RWTH PUBLICATIONS: RWTH-2022-05890