Molecular quantum similarity studies and molecular properties of the Tungsten intermediates \([\hbox{W}_6 \hbox{I}_{14}]^{2-}\) clusters
DOI10.1007/S10910-020-01141-2zbMath1447.81218OpenAlexW3028464585MaRDI QIDQ780346
Alejandro Morales-Bayuelo, Leonor Alvarado-Soto, Rodrigo Ramírez-Tagle, José Catalán
Publication date: 15 July 2020
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-020-01141-2
relativistic density functional theoryluminescence propertymolecular quantum similarityTungsten intermediates \([W_6 I_{14}^{2-}\) clusters]
Covariant wave equations in quantum theory, relativistic quantum mechanics (81R20) Molecular physics (81V55) Computational density functional analysis in statistical mechanics (82M36)
Cites Work
- Theoretical model for the polarization molecular and Hückel treatment of phosphocyclopentadiene in an external electric field: Hirschfeld study
- Quantum molecular similarity measures (QMSM) as a natural way leading towards a theoretical foundation of quantitative structure-properties relationships (QSPR)
- Topological model to quantify the global reactivity indexes as local in Diels-Alder reactions, using density function theory (DFT) and local quantum similarity (LQS)
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