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Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers

[Image: see text] This Perspective revisits Charles Coulson’s famous statement from 1959 “give us insight not numbers” in which he pointed out that accurate computations and chemical understanding often do not go hand in hand. We argue that today, accurate wave function based first-principle calcula...

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Detalles Bibliográficos
Autores principales:	Neese, Frank, Atanasov, Mihail, Bistoni, Giovanni, Maganas, Dimitrios, Ye, Shengfa
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2019
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6728125/ https://www.ncbi.nlm.nih.gov/pubmed/30629883 http://dx.doi.org/10.1021/jacs.8b13313

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