Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons

DOI10.1007/s10910-011-9960-yzbMath1403.81081OpenAlexW2043099165WikidataQ62511133 ScholiaQ62511133MaRDI QIDQ714679

Ramon Carbó-Dorca, Emili 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

zbMATH Keywords

shape functionsquantum similaritydensity functionscentroid origin shiftmolecular dissimilarity Euclidian distancesmolecular point clouds (MPC)molecular point huts (MPH)molecular similarity Carbó indices (CI)quantum object sets (QOS)quantum similarity matrices (SM)space of descriptorsspace of molecules

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55) Space charge waves (78A20)

Related Items (15)

A study on the centroid vector of a polyhedron ⋮ Particle coordinates and discrete molecular description: a geometric point of view on a twofold dimensionality environment ⋮ On the nature of the collective quantum mechanical description of molecular atoms and bonds ⋮ Completely soft molecular electrostatic potentials (CoSMEP) and total density functions ⋮ Quantum similarity matrices column set as holograms of DF molecular point clouds ⋮ Universal transformation and non-linear connection between experimental and calculated property vectors in QSPR ⋮ About the concept of chemical space: a \textit{concerned} reflection on some trends of modern scientific thought within theoretical chemical lore ⋮ Mathematical aspects of the LCAO MO first order density function. V: Centroid shifting of MO shape functions basis set, properties and applications ⋮ EMP as a similarity measure: a geometric point of view ⋮ A quantum similarity discussion about Einstein-Podolsky-Rosen (EPR) paradox in Gaussian enfolded spaces ⋮ Multimolecular polyhedra and QSPR ⋮ A theorem on the Gram matrix of a polyhedron ⋮ Natural vector spaces (inward power and Minkowski norm of a natural vector, natural Boolean hypercubes) and a Fermat's last theorem conjecture ⋮ Quantum polyhedra, definitions, statistics and the construction of a collective quantum similarity index ⋮ Variational principle, Hohenberg-Kohn theorem, and density function origin shifts

Cites Work

• Quantum similarity and discrete representation of molecular sets
• Quantum similarity, volume functions and generalized Carbó indices
• Definition of norm coherent generalized scalar products and quantum similarity
• Tagged sets, convex sets and quantum similarity measures
• On quantum molecular similarity measures (QMSM) and indices (QMSI)
• Quantum molecular similarity measures (QMSM) as a natural way leading towards a theoretical foundation of quantitative structure-properties relationships (QSPR)
• 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
• Encyclopedia of Distances
• Quantum QSAR and the eigensystems of stochastic quantum similarity matrices

This page was built for publication: Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons