Mostrando 5 resultados de: 5
Publisher
Journal of Chemical Information and Computer Sciences(2)
Journal of Computational Chemistry(1)
Journal of Molecular Structure: THEOCHEM(1)
Nuovo Cimento della Societa Italiana di Fisica A(1)
Área temáticas
Química analítica(3)
Química física(2)
Ciencias de la computación(1)
Denominaciones y sectas de la Iglesia cristiana(1)
Educación, investigación, temas relacionados(1)
Área de conocimiento
Química teórica(3)
Ciencia de materiales(1)
Física(1)
Optimización matemática(1)
Relación cuantitativa estructura-actividad(1)
Objetivos de Desarrollo Sostenible
ODS 9: Industria, innovación e infraestructura(5)
ODS 3: Salud y bienestar(2)
ODS 4: Educación de calidad(2)
ODS 7: Energía asequible y no contaminante(1)
Origen
scopus(5)
A formal comparison between molecular quantum similarity measures and indices
ReviewAbstract: In this paper two methods are described to establish a formal comparison between different molecularPalabras claves:Autores:Ramón Carbö-D̈orca, Robert D.Fuentes:scopusAnalyzing the triple density molecular quantum similarity measures with the INDSCAL model
ArticleAbstract: This work proposes a statistical interpretation of the Triple Density quantum similarity measures, aPalabras claves:Autores:Ramón Carbö-D̈orca, Robert D.Fuentes:scopusStructure-property relationships in nuclei. Prediction of the binding energy per nucleon using a quantum similarity approach
ArticleAbstract: The binding energy per nucleon of a system of 73 stable nuclei is was predicted by means of a multilPalabras claves:Autores:Ramón Carbö-D̈orca, Robert D.Fuentes:scopusQuantum mechanical origin of QSAR: Theory and applications
ArticleAbstract: In this paper, search is carried out on how to develop the formalism where quantum similarity measurPalabras claves:Convex sets, Definite positive operators, Density functions, Discrete molecular representations, Electrostatic molecular potentials, Generalised Carbo index, Generalised scalar products, Kinetic energy and angular momentum density functions, p-Valued problems, QSAR, QSPR, Quantum objects, Similarity matrices, Tagged ensembles, Tagged sets, vector semispacesAutores:Amat L., Besalu E., Gironés X., Ramón Carbö-D̈orca, Robert D.Fuentes:scopusTGSA: A Molecular Superposition Program Based on Topo-Geometrical Considerations
ArticleAbstract: In this article, a new molecular alignment procedure to provide general-purpose, fast, automatic, anPalabras claves:alignment, Computer program, Molecular superposition, TGSA, Topo-geometrical approachAutores:Gironés X., Ramón Carbö-D̈orca, Robert D.Fuentes:scopus