Mostrando 6 resultados de: 6
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Journal of Mathematical Chemistry(4)
Molecular Physics(1)
Wiley Interdisciplinary Reviews: Computational Molecular Science(1)
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Química analítica(2)
Química física(2)
Química y ciencias afines(2)
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Communications on quantum similarity (4): Collective distances computed by means of similarity matrices, as generators of intrinsic ordering among quantum multimolecular polyhedra
ReviewAbstract: This study generalizes the notion of distance via defining an axiomatic collective distance, betweenPalabras claves:Autores:D. Barragan Guerrero, Diego Orlando Barragán Guerrero, R. Carbo Dorca, Ramón Carbö-D̈orcaFuentes:googlerraaescopusAn isometric representation problem in quantum multimolecular polyhedra and similarity
ArticleAbstract: Collective distances in quantum multimolecular polyhedra, which can be set as a scalar index associaPalabras claves:Collective distances, Collective similarity indices, Density functions discrete isometric representation, Quantum molecular similarity, quantum multimolecular polyhedra, Quantum object setsAutores:R. Carbo Dorca, Ramón Carbö-D̈orcaFuentes:rraaescopusAn isometric representation problem in quantum multimolecular polyhedra and similarity: (2) synisometry
ArticleAbstract: Collective distances in quantum multimolecular polyhedra (QMP), which can be set as a scalar indicesPalabras claves:Collective distances, Collective similarity indices, Density functions discrete isometric and Synisometric representation, Quantum molecular similarity, quantum multimolecular polyhedra, Quantum object setsAutores:R. Carbo DorcaFuentes:rraaeA study on the centroid vector of a polyhedron
ArticleAbstract: Centroid vectors have been used as translations to shift the origin in vector sets belonging to pre-Palabras claves:Centroid vectors, Gram matrix, Molecular spaces, Origin shifts, Polyhedra in vector spaces, QSPR, Quantum Similarity, Variance indexAutores:R. Carbo Dorca, Ramón Carbö-D̈orcaFuentes:rraaescopusLeast squares estimation of unknown molecular properties and quantum QSPR fundamental equation
ArticleAbstract: Several characteristic features of the least squares method when solving the quantum QSPR fundamentaPalabras claves:Collective QMP condensed distances and indices, Least squares, Quantum multimolecular polyhedra (QMP), Quantum QSPR fundamental equationAutores:R. Carbo Dorca, Ramón Carbö-D̈orcaFuentes:rraaescopusQuantum polyhedra in LCAO MO theory
ArticleAbstract: This paper presents the definition and characterisation of quantum molecular polyhedra. They are takPalabras claves:Collective MO distances, Condensed MO indices, LCAO MO theory, MO density functions, quantum molecular polyhedra, Statistical-like functionsAutores:R. Carbo Dorca, Ramón Carbö-D̈orcaFuentes:rraaescopus