Quantifying the distortion by spin-orbit and spin-spin coupling in molecular clusters using molecular quantum similarity
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Publication:6189859
DOI10.1007/s10910-023-01552-xMaRDI QIDQ6189859
Publication date: 5 March 2024
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Euclidean distancesCoulomb similaritygeometry distortionmolecular quantum similarity indicesoverlap similarityspin-orbit and spin-spin coupling
Cites Work
- Theoretical model for the polarization molecular and Hückel treatment of phosphocyclopentadiene in an external electric field: Hirschfeld study
- 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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