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• W2084801079 startingPage "3143" @default.
• W2084801079 abstract "Molecular quantum similarity is evaluated for enantiomers possessing two asymmetric carbon atoms, namely halogen substituted ethanes. This study is an extension of previous work performed on molecules with a single asymmetric carbon atom and molecules possessing a chiral axis. Global similarity and its local counterpart based on the Hirshfeld partitioning are evaluated. By these means we quantify the dissimilarity of enantiomers and illustrate Mezey's holographic electron density theorem in chiral systems. Furthermore, the relation between the optical activity and the dissimilarity is studied. Special attention is drawn to the meso compounds, since these isomers enable us to examine local chirality in an achiral system." @default.
• W2084801079 created "2016-06-24" @default.
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• W2084801079 date "2007-03-30" @default.
• W2084801079 modified "2023-10-15" @default.
• W2084801079 title "Molecular Quantum Similarity and Chirality: Enantiomers with Two Asymmetric Centra" @default.
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• W2084801079 doi "https://doi.org/10.1021/jp070479i" @default.
• W2084801079 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17394298" @default.
• W2084801079 hasPublicationYear "2007" @default.
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