Mostrando 4 resultados de: 4
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Journal of Computational Chemistry(2)
AIP Conference Proceedings(1)
Journal of Mathematical Chemistry(1)
Área temáticas
Física(3)
Ciencias de la computación(2)
Química física(2)
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Origen
scopus(4)
Commentaries on quantum similarity (1): Density gradient quantum similarity
ArticleAbstract: Computation of density gradient quantum similarity integrals is analyzed, while comparing such integPalabras claves:ASA framework, Density gradient quantum similarity integrals, Density overlap quantum similarity measures, Quantum Similarity, Quantum similarity indicesAutores:Mercado L., Ramón Carbö-D̈orcaFuentes:scopusCommunications 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:scopusDensity gradient quantum similarity
Conference ObjectAbstract: Computation of density gradient quantum similarity integrals is analyzed, while comparing such integPalabras claves:ASA framework, Density gradient quantum similarity integrals, Density overlap quantum similarity measures, Quantum Similarity, Quantum similarity indicesAutores: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