Mostrando 10 resultados de: 266
Publisher
Journal of Mathematical Chemistry(116)
Journal of Computational Chemistry(19)
Journal of Chemical Information and Computer Sciences(17)
International Journal of Quantum Chemistry(13)
Chemical Physics Letters(11)
Área temáticas
Química física(116)
Química analítica(63)
Física(59)
Química orgánica(42)
Ciencias de la computación(38)
Área de conocimiento
Química teórica(94)
Mecánica cuántica(64)
Optimización matemática(56)
Relación cuantitativa estructura-actividad(36)
Ciencia de materiales(22)
Heisenberg's relations in discrete N-dimensional parameterized metric vector spaces
ArticleAbstract: This paper shows that Heisenberg's relations are deducible from the structure of parameterized metriPalabras claves:Gram matrix, Heisenberg's relations, Inward vector product, N-dimensional vector spaces, parameterized metric vector spaces, real scalar product, Schwartz inequalityAutores:Ramón Carbö-D̈orcaFuentes:scopusHypercubes defined on n-ary sets, the Erdös–Faber–Lovász conjecture on graph coloring, and the description spaces of polypeptides and RNA
ArticleAbstract: The present study deals with the possibility that N-dimensional hypercubes vertices could be construPalabras claves:Erdös–Faber–Lovász conjecture, Graph coloring, n-ary N-dimensional hypercubes, N-dimensional hypercube generation, Protein generator spaces, RNA generator spaces, Unnatural proteins, Unnatural RNAAutores:Chakraborty T., Ramón Carbö-D̈orcaFuentes:scopusIcosahedral symmetry structures with open-shell electronic configuration h(N) (N = 1-9)
ArticleAbstract: A general structure of the states' energy levels has been derived for systems of icosahedral symmetrPalabras claves:Autores:Plakhutin B.N., Ramón Carbö-D̈orcaFuentes:scopusElectron delocalization and aromaticity in linear polyacenes: Atoms in molecules multicenter delocalization index
ArticleAbstract: Molecular aromaticity in the linear polyacenes is investigated using an atoms in molecules based sixPalabras claves:Autores:Bultinck P., Ponec R., Popelier P.L.A., Rafat M., Ramón Carbö-D̈orca, Van Gheluwe B.Fuentes:scopusElectrostatic molecular potential as a static index in the study of aromatic substitutions
ArticleAbstract: Electrostatic potential maps of azulene, indole and benzofuran are discussed. Theoretical results onPalabras claves:Autores:Bertrán J., Martín M., Ramón Carbö-D̈orca, Silla E.Fuentes:scopusElementary Unitary MO Transformations and SCF Theory
ArticleAbstract:Palabras claves:Autores:Domingo L.L., Peris J.J., Ramón Carbö-D̈orcaFuentes:scopusEmpirical quantum chemical approach to structure-gas chromatographic retention index relationships. I. Sterol acetates
ArticleAbstract: It has been found possible to correlate chromatographic retention parameters directly with molecularPalabras claves:Autores:Fernandez E., Firpo G., Gassiot M., Martín M., Ramón Carbö-D̈orcaFuentes:scopusEmpirical quantum chemical approach to structure-gas chromatographic retention index relationships. II. Cyclohexane derivatives
ArticleAbstract: It has been found possible to correlate chromatographic retention parameters with molecular electronPalabras claves:Autores:Albaigés J., Firpo G., Gassiot M., Guardino X., Martín M., Ramón Carbö-D̈orcaFuentes:scopusEnergy variation and elementary Jacobi rotations
ArticleAbstract: A general exploration of elementary Jacobi unitary transformations is carried out in order to acomplPalabras claves:Autores:Domingo L.L., Novoa J., Peris J.J., Ramón Carbö-D̈orcaFuentes:scopusEnfolded conformational spaces: Definition of the chemical quantum mechanical multiverse under Born-Oppenheimer approximation
ArticleAbstract: Starting from the Born-Oppenheimer approximation and the state density functions, which can be compuPalabras claves:Born-Oppenheimer approximation, Chemical enfoldment Multiverse, Conformational space enfoldment, Conformational spaces, Density functions, Molecular quantum mechanical enfoldment universes, Vector space enfoldmentsAutores:Ramón Carbö-D̈orcaFuentes:scopus