Development of Ensemble Steric and Electrostatic Chirality (ESEC) descriptors for modelling chromatographic enantioseparations.

In this work, chiral molecular descriptors were defined using 2 distinct approaches: (1) scalar triple products of vectorial molecular properties, and (2) descriptors that attempt to quantify the amount of twist in the overall molecular shape. Because both approaches give rise to conformation depend...

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Ngā kaituhi matua:	Jordy Peeters, Pieter De Gauquier, Fardine Ameli, Yvan Vander Heyden, Debby Mangelings, Kenno Vanommeslaeghe
Hōputu:	Artigo
Reo:	Inglês
I whakaputaina:	Public Library of Science (PLoS) 2025-01-01
Rangatū:	PLoS ONE
Urunga tuihono:	https://doi.org/10.1371/journal.pone.0333635
Ngā Tūtohu:	Tāpirihia he Tūtohu Kāore He Tūtohu, Me noho koe te mea tuatahi ki te tūtohu i tēnei pūkete!