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Structural characterization of chiral molecules : tool development for molecular simulations of vibrational circular dichroism spectraTheoretical and/or physical chemistry. Université Paris-Saclay, 2022. English. ⟨NNT : 2022UPASF063⟩
Theses
tel-04049880v1
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Influence of the environment on the infrared spectrum of alanine: an effective modes analysisJournal of Chemical Physics, 2023, 158, pp.094305. ⟨10.1063/5.0135608⟩
Journal articles
hal-04055173v1
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Assessing Cluster Models of Solvation for the Description of Vibrational Circular Dichroism Spectra: Synergy between Static and Dynamic ApproachesPhysical Chemistry Chemical Physics, 2020, 22 (45), pp.26047-26068. ⟨10.1039/D0CP03869E⟩
Journal articles
hal-03014777v1
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