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Floating Orbitals Reconsidered: The Difference an Imaginary Part Can Make

[Image: see text] Floating orbitals for valence electrons have made cameo appearances at several stages in the history of quantum chemistry. Most often, they were considered as potentially useful basis functions and, more recently, also as muses for the development of subatomistic force fields. To f...

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Detalles Bibliográficos
Autores principales: Shen, Zhe, Herzfeld, Judith
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6645009/
https://www.ncbi.nlm.nih.gov/pubmed/31459209
http://dx.doi.org/10.1021/acsomega.8b01528