Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Decoding the Signatures of Chromophore-Solvent Interactions in InfraRed Spectroscopy with Machine-Learning: Insights from a Hybrid Density-Functional Theory/Molecular Mechanics Dynamics Model
, Authors:
Abir KEBABSA, François MAUREL, Éric Brémond
Version 1 posted 28 May 2025
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