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• W2066033524 abstract "In the analysis of molecular similarity and chirality of enantiomers performed in this paper, we introduce a new local similarity index based on the Hirshfeld partitioning. In the framework of conceptual density functional theory and considering the enantiomers of the halomethane CHFClBr and of the amino acids alanine and leucine, this index is used to investigate the dissimilarity of chiral molecules. Furthermore, we illustrate Mezey's holographic electron density theorem." @default.
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• W2066033524 date "2003-11-15" @default.
• W2066033524 modified "2023-10-15" @default.
• W2066033524 title "Similarity and Chirality: Quantum Chemical Study of Dissimilarity of Enantiomers" @default.
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• W2066033524 doi "https://doi.org/10.1021/jp035930u" @default.
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