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authFullName_s : Jessica Bowles
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Structural characterization of chiral molecules : tool development for molecular simulations of vibrational circular dichroism spectra

Jessica Bowles
Theoretical 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 analysis

Jessica Bowles , Sascha Jähnigen , Rodolphe Vuilleumier , Florent Calvo , Carine Clavaguéra , et al.
Journal 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 Approaches

Katia Le Barbu-Debus , Jessica Bowles , Sascha Jähnigen , Carine Clavaguéra , Florent Calvo , et al.
Physical Chemistry Chemical Physics, 2020, 22 (45), pp.26047-26068. ⟨10.1039/D0CP03869E⟩
Journal articles hal-03014777v1