A DFT-chemotopological study on the 3D transition metal oxides and dioxygen complexes
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- 作者：Daniel E. Trujillo-Gonzá ; leza ; Marí ; a C. Ramí ; rez-Romeroa ; Juan I. Rodrí ; guezb ; Emilbus A. Uribea ; emilbusuribe@usantotomas.edu.co" class="auth_mail" title="E-mail the corresponding author
- 刊名：Chemical Physics Letters
- 出版年：2016
- 出版时间：April 2016
- 年：2016
- 卷：649
- 期：Complete
- 页码：103-110
- 全文大小：1162 K
文摘
- •
The 3D transition metal–oxygen interactions in MOn complexes are studied.
- •
According to QTAIM analysis, M
O bonds are classified as Closed Shell interactions.- •
A chemotopological study for 40 MOn complexes is performed.