Descriptors and probability distributions in MO theory: weighted Mulliken matrices and molecular quantum similarity measures
DOI10.1007/S10910-005-9049-6zbMATH Open1101.81353OpenAlexW1998984816WikidataQ62511251 ScholiaQ62511251MaRDI QIDQ2503755FDOQ2503755
Authors: R. Carbó-Dorca 
Publication date: 22 September 2006
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-005-9049-6
Recommendations
- Simple comparison of atomic population and shape atomic populations distributions between two molecular structures with a coherent number of atoms
- Molecular descriptors and quasi-distribution functions
- Quantum similarity and discrete representation of molecular sets
- Quantum molecular similarity measures (QMSM) as a natural way leading towards a theoretical foundation of quantitative structure-properties relationships (QSPR)
- On quantum molecular similarity measures (QMSM) and indices (QMSI)
molecular descriptorsMulliken population analysismolecular discrete probability distributionsweighted Mulliken matricesweighted Mulliken populations
Applications of Brownian motions and diffusion theory (population genetics, absorption problems, etc.) (60J70) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55)
Cites Work
- Title not available (Why is that?)
- Title not available (Why is that?)
- Title not available (Why is that?)
- About some questions relative to the arbitrariness of signs: their possible consequences in matrix signatures definition and quantum chemical applications
- 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
- 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
- Quantum QSAR and the eigensystems of stochastic quantum similarity matrices
Cited In (16)
- Particle coordinates and discrete molecular description: a geometric point of view on a twofold dimensionality environment
- Determining symmetry changes during a chemical reaction: the case of diazene isomerization
- Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces
- Quantum QSAR and the eigensystems of stochastic quantum similarity matrices
- An analysis of the autocorrelation descriptor for molecules
- Quantum similarity and discrete representation of molecular sets
- On quantum molecular similarity measures (QMSM) and indices (QMSI)
- Simple comparison of atomic population and shape atomic populations distributions between two molecular structures with a coherent number of atoms
- Quantum mechanical basis for Mulliken population analysis
- Quantum similarity matrices column set as holograms of DF molecular point clouds
- Molecular descriptors and quasi-distribution functions
- QSAR and the ultimate molecular descriptor: The shape of electron density clouds
- Enfolded conformational spaces: definition of the chemical quantum mechanical multiverse under Born-Oppenheimer approximation
- Title not available (Why is that?)
- Mathematical aspects of the LCAO MO first order density function. I: Atomic partition, metric structure and practical applications
- Quantum molecular similarity measures (QMSM) as a natural way leading towards a theoretical foundation of quantitative structure-properties relationships (QSPR)
This page was built for publication: Descriptors and probability distributions in MO theory: weighted Mulliken matrices and molecular quantum similarity measures
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2503755)
