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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| 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 |