Completely Computational Model Setup for Spectroscopic Techniques: The Ab Initio Molecular Dynamics Indirect Hard Modeling Approach
Author:
Affiliation:
1. Institute of Technical Thermodynamics, RWTH Aachen University, 52062 Aachen, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c01061
Reference39 articles.
1. Indirect Spectral Hard Modeling for the Analysis of Reactive and Interacting Mixtures
2. Thermal decomposition of carboxylate ionic liquids: trends and mechanisms
3. The study of decomposition of 1-ethyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide by using Termogravimetry: Dissecting vaporization and decomposition of ILs
4. Methanol Partial Oxidation on MoO3/SiO2 Catalysts: Application of Vibrational Spectroscopic Imaging Techniques in a High Throughput Operando Reactor
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