Molecular Dynamics of Chiral Molecules in Hyperspherical Coordinates

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Abstract

The role of chirality in molecular collisions, in connection to chiral discrimination, lacks a striking experimental demonstration. This is due to difficulties in setting up apparatuses allowing for a strict control of the spatial distribution and alignment of the molecules and to lack of adequate theoretical and computational approaches to design experiments, anticipate results and interpret data. Here we illustrate a theoretical approach to the description of chiral effects in collisions to search for a stereo-directional origin of chiral discrimination.

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Lombardi, A., Palazzetti, F., & Aquilanti, V. (2019). Molecular Dynamics of Chiral Molecules in Hyperspherical Coordinates. In Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) (Vol. 11624 LNCS, pp. 413–427). Springer Verlag. https://doi.org/10.1007/978-3-030-24311-1_30

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