Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces

DOI10.1007/S10910-011-9906-4zbMATH Open1238.92068OpenAlexW2160219468WikidataQ62511146 ScholiaQ62511146MaRDI QIDQ424193FDOQ424193

Authors: R. Carbó-Dorca, E. Besalú 

Publication date: 31 May 2012

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-011-9906-4

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zbMATH Keywords

quantum similaritygeneralized cosine of a point cloudshells in vector semispacestensorial representation of molecules

Mathematics Subject Classification ID

Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

• Tagged sets, convex sets and quantum similarity measures
• Shell partition and metric semispaces: Minkowski norms, root scalar products, distances and cosines of arbitrary order
• A mathematical discussion on density and shape functions, vector semispaces and related questions
• Molecular quantum similarity measures in Minkowski metric vector semispaces
• On the statistical interpretation of density functions: Atomic shell approximation, convex sets, discrete quantum chemical molecular representations, diagonal vector spaces and related problems
• On quantum molecular similarity measures (QMSM) and indices (QMSI)
• Extending molecular similarity to energy surfaces: Boltzmann similarity measures and indices
• Generation of molecular fields, quantum similarity measures and related questions
• Descriptors and probability distributions in MO theory: weighted Mulliken matrices and molecular quantum similarity measures
• Quantum QSAR and the eigensystems of stochastic quantum similarity matrices
• Nonlinear terms \& variational approach in quantum QSPR
• Definition of norm coherent generalized scalar products and quantum similarity

Cited In (30)

• On the impossibility of unambiguously selecting the best model for fitting data
• Particle coordinates and discrete molecular description: a geometric point of view on a twofold dimensionality environment
• Natural vector spaces (inward power and Minkowski norm of a natural vector, natural Boolean hypercubes) and a Fermat's last theorem conjecture
• Role of the structure of Boolean hypercubes when used as vectors in natural (Boolean) vector semispaces
• Combinatorial enumeration of relativistic states of actinide dimers
• Variational principle, Hohenberg-Kohn theorem, and density function origin shifts
• A study on the centroid vector of a polyhedron
• Scaled Euclidean distances: a general dissimilarity index with a suitably defined geometrical foundation
• Symmetrical overlap transformations of function basis sets: the LCAO MO and quantum similarity practical cases
• Multimolecular polyhedra and QSPR
• \(N\)-dimensional Boolean hypercubes and the Goldbach conjecture
• Definition of norm coherent generalized scalar products and quantum similarity
• Extension of Fermat's last theorem in Minkowski natural spaces
• Quantum similarity and discrete representation of molecular sets
• Enumeration of relativistic states for superheavy and transactinide dimers in the periodic table
• Quantum similarity, volume functions and generalized Carbó indices
• Collective Euclidian distances and quantum similarity
• Mathematical aspects of the LCAO MO first order density function. V: Centroid shifting of MO shape functions basis set, properties and applications
• Time vectors and particle swarms defined as polyhedra in spherically enfolded spaces
• About the concept of chemical space: a \textit{concerned} reflection on some trends of modern scientific thought within theoretical chemical lore
• Simple comparison of atomic population and shape atomic populations distributions between two molecular structures with a coherent number of atoms
• Molecular quantum similarity measures in Minkowski metric vector semispaces
• Quantum polyhedra, definitions, statistics and the construction of a collective quantum similarity index
• Quantum similarity matrices column set as holograms of DF molecular point clouds
• An isometric representation problem in quantum multimolecular polyhedra and similarity
• An isometric representation problem in quantum multimolecular polyhedra and similarity: II: Synisometry
• Least squares estimation of unknown molecular properties and quantum QSPR fundamental equation
• About some questions relative to the arbitrariness of signs: their possible consequences in matrix signatures definition and quantum chemical applications
• Quantum similarity and QSPR in Euclidean-, and Minkowskian-Banach spaces
• A mathematical discussion on density and shape functions, vector semispaces and related questions

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