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Theoretical Study on Third-Order Nonlinear Optical Properties for One-Hole-Doped Diradicaloids

[Image: see text] We investigate the relationships between open-shell character and longitudinal static second hyperpolarizabilities γ for one-hole-doped diradicaloids using the strong-correlated ab initio molecular orbital methods and simple one-dimensional (1D) three-site two-electron (3s-2e) mode...

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Detalles Bibliográficos
Autores principales:	Yoshida, Wataru, Matsui, Hiroshi, Miyamoto, Hajime, Tonami, Takayoshi, Sugimori, Ryota, Yoneda, Kyohei, Kishi, Ryohei, Nakano, Masayoshi
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7860065/ https://www.ncbi.nlm.nih.gov/pubmed/33553922 http://dx.doi.org/10.1021/acsomega.0c05424

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