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List of works by Manuel J Schuler

Assessing the predictability of anharmonic vibrational modes at the example of hydroxyl groups - ad hoc construction of localised modes and the influence of structural solute-solvent motifs.

scientific article published on 26 April 2017

Cu2+ in liquid ammonia-The impact of solvent flexibility and electron correlation in ab initio quantum mechanical charge field molecular dynamics

scientific article published on 31 July 2020

Solvation effects on wavenumbers and absorption intensities of the OH-stretch vibration in phenolic compounds - electrical- and mechanical anharmonicity via a combined DFT/Numerov approach

scientific article published on 01 June 2020

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