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Quantum Simulation of Molecules in Solution

[Image: see text] Quantum chemical calculations on quantum computers have been focused mostly on simulating molecules in the gas phase. Molecules in liquid solution are, however, most relevant for chemistry. Continuum solvation models represent a good compromise between computational affordability a...

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Detalles Bibliográficos
Autores principales:	Castaldo, Davide, Jahangiri, Soran, Delgado, Alain, Corni, Stefano
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9754316/ https://www.ncbi.nlm.nih.gov/pubmed/36351289 http://dx.doi.org/10.1021/acs.jctc.2c00974

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