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Communications on quantum similarity, part 3: A geometric-quantum similarity molecular superposition algorithm
ArticleAbstract: This work describes a new procedure to obtain optimal molecular superposition based on quantum similPalabras claves:Carbó QS index, geometric QS MS algorithm, inward functions of QS matrices, Kruskal trees, molecular superposition (MS), QS Aufbau principle, QS integrals, QS matrices, quantum similarity (QS), restricted elementary Jacobi rotationsAutores:Besalu E., Mercado L., Ramón Carbö-D̈orcaFuentes:scopusQuantum similarity and discrete representation of molecular sets
ArticleAbstract: This study describes how quantum similarity theoretical framework can provide arbitrary molecular sePalabras claves:Cramer steroid set, Kruskal trees, Molecular descriptors, Molecular QS tensors, Ordering of molecular sets, Quantum objects, quantum QSPR, quantum similarity (QS)Autores:Mercado L., Ramón Carbö-D̈orcaFuentes:scopus