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SPA(H)M: the spectrum of approximated Hamiltonian matrices representations

Physics-inspired molecular representations are the cornerstone of similarity-based learning applied to solve chemical problems. Despite their conceptual and mathematical diversity, this class of descriptors shares a common underlying philosophy: they all rely on the molecular information that determ...

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Detalles Bibliográficos
Autores principales:	Fabrizio, Alberto, Briling, Ksenia R., Corminboeuf, Clemence
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	RSC 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9189859/ https://www.ncbi.nlm.nih.gov/pubmed/35769206 http://dx.doi.org/10.1039/d1dd00050k

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