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
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)[https://portal.mardi4nfdi.de/w/index.php?title=+Special%3ASearch&search=molecular+similarity+Carb%EF%BF%BD%EF%BF%BD+indices+%28CI%29&go=Go molecular similarity Carb�� indices (CI)]quantum object sets (QOS)quantum similarity matrices (SM)space of descriptorsspace of molecules
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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