Descriptors and probability distributions in MO theory: weighted Mulliken matrices and molecular quantum similarity measures
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Cites work
- scientific article; zbMATH DE number 1226426 (Why is no real title available?)
- scientific article; zbMATH DE number 1049347 (Why is no real title available?)
- scientific article; zbMATH DE number 3408799 (Why is no real title available?)
- A mathematical discussion on density and shape functions, vector semispaces and related questions
- About some questions relative to the arbitrariness of signs: their possible consequences in matrix signatures definition and quantum chemical applications
- Quantum QSAR and the eigensystems of stochastic quantum similarity matrices
- Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction
- Shell partition and metric semispaces: Minkowski norms, root scalar products, distances and cosines of arbitrary order
Cited in
(16)- Particle coordinates and discrete molecular description: a geometric point of view on a twofold dimensionality environment
- Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces
- Quantum similarity and discrete representation of molecular sets
- Determining symmetry changes during a chemical reaction: the case of diazene isomerization
- Mathematical aspects of the LCAO MO first order density function. I: Atomic partition, metric structure and practical applications
- Quantum mechanical basis for Mulliken population analysis
- Quantum molecular similarity measures (QMSM) as a natural way leading towards a theoretical foundation of quantitative structure-properties relationships (QSPR)
- Enfolded conformational spaces: definition of the chemical quantum mechanical multiverse under Born-Oppenheimer approximation
- On quantum molecular similarity measures (QMSM) and indices (QMSI)
- QSAR and the ultimate molecular descriptor: The shape of electron density clouds
- scientific article; zbMATH DE number 7427078 (Why is no real title available?)
- Quantum QSAR and the eigensystems of stochastic quantum similarity matrices
- Molecular descriptors and quasi-distribution functions
- Quantum similarity matrices column set as holograms of DF molecular point clouds
- Simple comparison of atomic population and shape atomic populations distributions between two molecular structures with a coherent number of atoms
- An analysis of the autocorrelation descriptor for molecules
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