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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:scopusBoolean Hypercubes as time representation holders
OtherAbstract:Palabras claves:Autores:Ramón Carbö-D̈orcaFuentes:scopusA quantum similarity discussion about Einstein–Podolsky–Rosen (EPR) paradox in Gaussian enfolded spaces
ArticleAbstract: The Einstein–Podolsky–Rosen discussion about the completeness of quantum mechanics is examined usingPalabras claves:Einstein–Podolsky–Rosen (EPR) paradox, Gaussian enfolded spaces, Gaussian functions, Quantum density functions, Quantum polyhedra, Quantum Similarity, Variance of a quantum polyhedronAutores:Chang J., Ramón Carbö-D̈orcaFuentes:scopusA quantum similarity matrix (QSM) Aufbau procedure
ArticleAbstract: An Aufbau recursive algorithm, leading to the construction of molecular Quantum similarity matricesPalabras claves:Quantum Similarity, Quantum similarity Aufbau condition, Quantum similarity matrices, Quantum similarity matrices Aufbau recursive constructionAutores:Ramón Carbö-D̈orcaFuentes:scopusDetermination of unknown molecular properties in molecular spaces
ArticleAbstract: A new algorithm is described to evaluate the values of unknown molecular properties. The whole compuPalabras claves:Evaluation of unknown molecular properties, Molecular gram matrices, Molecular space, Parameter or descriptor space, QSAR, QSPR, quantum QSPR, Quantum Similarity, Similarity matrixAutores:Ramón Carbö-D̈orcaFuentes:scopusConstruction of coherent nano quantitative structure-properties relationships (nano-QSPR) models and catastrophe theory
ArticleAbstract: The structure one can associate to coherent nano-quantitative structure-properties relationship (nanPalabras claves:Catastrophe theory, Nano-QSPR, Nanoparticle size role within nano-QSPR, Nanotechnology (nanotech), QSPRAutores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopusCritical thoughts on computing atom condensed Fukui functions
ArticleAbstract: Different procedures to obtain atom condensed Fukui functions are described. It is shown how the resPalabras claves:Autores:Ayers P.W., Bultinck P., Fias S., Ramón Carbö-D̈orca, Van Alsenoy C.Fuentes:scopusDefinition and quantum chemical applications of nested summation symbols and logical functions: Pedagogical artificial intelligence devices for formulae writing, sequential programming and automatic parallel implementation
ArticleAbstract:Palabras claves:Autores:Besalu E., 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:scopusApplication of promolecular ASA densities to graphical representation of density functions of macromolecular systems
ArticleAbstract: In this article we report the application of the Promolecular Atomic Shell Approximation (PromoleculPalabras claves:ASA, density function, Graphical representation, Macromolecular systems, MIDCOs, Promolecular densitiesAutores:Gironés X., Mezey P., Ramón Carbö-D̈orcaFuentes:scopus