Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons
DOI10.1007/S10910-011-9960-YzbMATH Open1403.81081OpenAlexW2043099165WikidataQ62511133 ScholiaQ62511133MaRDI QIDQ714679FDOQ714679
Authors: R. Carbó-Dorca, E. Besalú 
Publication date: 11 October 2012
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-011-9960-y
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quantum similarityshape functionsdensity functionscentroid origin shiftmolecular dissimilarity Euclidian distancesmolecular point clouds (MPC)molecular point huts (MPH)quantum object sets (QOS)quantum similarity matrices (SM)space of descriptorsspace of moleculesmolecular similarity Carbó indices (CI)
Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55) Space charge waves (78A20)
Cites Work
- Encyclopedia of Distances
- Quantum similarity and discrete representation of molecular sets
- 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
- On quantum molecular similarity measures (QMSM) and indices (QMSI)
- Quantum QSAR and the eigensystems of stochastic quantum similarity matrices
- Quantum similarity, volume functions and generalized Carbó indices
- Definition of norm coherent generalized scalar products and quantum similarity
- Quantum molecular similarity measures (QMSM) as a natural way leading towards a theoretical foundation of quantitative structure-properties relationships (QSPR)
Cited In (15)
- 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
- Variational principle, Hohenberg-Kohn theorem, and density function origin shifts
- EMP as a similarity measure: a geometric point of view
- A quantum similarity discussion about Einstein-Podolsky-Rosen (EPR) paradox in Gaussian enfolded spaces
- A study on the centroid vector of a polyhedron
- Universal transformation and non-linear connection between experimental and calculated property vectors in QSPR
- Multimolecular polyhedra and QSPR
- Mathematical aspects of the LCAO MO first order density function. V: Centroid shifting of MO shape functions basis set, properties and applications
- On the nature of the collective quantum mechanical description of molecular atoms and bonds
- About the concept of chemical space: a \textit{concerned} reflection on some trends of modern scientific thought within theoretical chemical lore
- 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
- Completely soft molecular electrostatic potentials (CoSMEP) and total density functions
- A theorem on the Gram matrix of a polyhedron
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