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Diagonal coefficient representation of density functions and quantum similarity measures
ArticleAbstract: Quantum similarity measures within a new theoretical point of view are described for arbitrary orderPalabras claves:Minkowski metric, Nested summation symbols, p-th order density functions, Pseudo-wave functions, Quantum similarity measures, vector semispacesAutores:Ramón Carbö-D̈orcaFuentes:scopusGeneral Trends in Atomic and Nuclear Quantum Similarity Measures
ArticleAbstract: Simple and accurate relationships between atomic and nuclear quantum similarity measures and their cPalabras claves:Density functions, Quantum similarity measuresAutores:Ramón Carbö-D̈orca, Robert D.Fuentes:scopusGeneralized one-electron spin functions and self-similarity measures
ArticleAbstract: A simple method for construction of eigenfunctions of one-electron spin angular momentum operators fPalabras claves:Coupling of angular momenta, One-electron spin functions, Quantum similarity measures, spin densityAutores:Besalu E., Karwowski J., Ramón Carbö-D̈orcaFuentes:scopusGeneration of molecular fields, quantum similarity measures and related questions
ArticleAbstract: A straightforward discussion on how to generate molecular fields is developed within the postulatesPalabras claves:Density functions, Electrostatic molecular potential, Quantum molecular fields, Quantum similarity fields, Quantum similarity measuresAutores:Besalu E., Ramón Carbö-D̈orcaFuentes:scopusMolecular quantum similarity measures in Minkowski metric vector semispaces
ArticleAbstract: Minkowski metric vector semispaces can be chosen as the natural mathematical framework, where quantuPalabras claves:General weighted Minkowski metric, Minkowski metric, Quantum similarity measures, Shape functions, Unit shell, vector semispacesAutores:Ramón Carbö-D̈orcaFuentes:scopusMathematical aspects of the LCAO MO first order density function (1): Atomic partition, metric structure and practical applications
ArticleAbstract: Partition of the first order density function within LCAO MO theory permits the definition of MullikPalabras claves:Atomic basis set, Comparison of two density functions on the same molecule, First order density function, Minkowski density function partition, Mulliken populations, Quantum similarity measuresAutores:Ramón Carbö-D̈orcaFuentes:scopusTriple density molecular quantum similarity measures: A general connection between theoretical calculations and experimental results
ArticleAbstract: A new quantum similarity measure is defined. It is proposed as a way to project density functions frPalabras claves:Density functions, molecular point clouds, molecular quantum engineering, point-molecules, Quantum similarity measures, structure-property relationships, Triple density similarity measuresAutores:Besalu E., Calabuig B., Martínez A., Ramón Carbö-D̈orcaFuentes:scopusQuantum QSAR and the eigensystems of stochastic quantum similarity matrices
ArticleAbstract: Row or column stochastic quantum similarity matrices (SM) are by construction non-symmetric square aPalabras claves:Generalized matrix eigensystems, Quantum objects, Quantum QSAR, Quantum similarity matrices, Quantum similarity measures, Stochastic quantum similarity matricesAutores:Ramón Carbö-D̈orcaFuentes:scopusQuantum quantitative structure-activity relationships (QQSAR): A comprehensive discussion based on inward matrix products, employed as a tool to find approximate solutions of strictly positive linear systems and providing a QSAR- Quantum similarity measures connection
Conference ObjectAbstract: In this work an approximate way to solve strictly positive linear systems of equations is proposed aPalabras claves:Density functions, Inward matrix product, Quantum similarity measures, Quantum-QSARAutores:Ramón Carbö-D̈orcaFuentes:scopusQuantum similarity approach to the characterization of molecular chirality
ArticleAbstract: In this paper we report the application of quantum similarity measures as a new means of quantitativPalabras claves:Chirality measures, Molecular shape analysis, QShAR, Quantum holography, Quantum similarity measuresAutores:Amat L., Mezey P., Ponec R., Ramón Carbö-D̈orcaFuentes:scopus