Theoretical investigation of CB5H6(Hfac) and CB5H5(H2) carboranes: Combined MO and QTAIM analysis

Authors
Klyukin Ilya N.1 , Kolbunova Anastasia V.1, 2 , Novikov Alexander S. 3, 4, 5 , Zhizhin Konstantin Yu.1 , Kuznetsov Nikolay T.1
Journal
https://www.sciencedirect.com/journal/computational-and-theoretical-chemistry
Publisher
Elsevier B.V.
Language
English
Pages
114434
Status
Published
DOI
10.1016/j.comptc.2023.114434
Volume
1231
Year
2024
Organizations
  • 1 Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31 117907, Moscow, Russian Federation
  • 2 Moscow Institute of Physics and Technology (National Research University), Institutskiy per. 9, Dolgoprudny 141700, Moscow Region, Russian Federation
  • 3 Institute of Chemistry, Saint Petersburg State University, Universitetskaya Nab. 7-9 199034, Saint Petersburg, Russian Federation
  • 4 Research Institute of Chemistry, Peoples’ Friendship University of Russia (RUDN University), Miklukho-Maklaya st. 6 117198, Moscow, Russian Federation
  • 5 Infochemistry Scientific Center, ITMO University, Kronverksky pr., 49, bldg. A 197101 Saint Petersburg, Russian Federation
Date of creation
21.10.2024
Date of change
21.10.2024
Short link
https://repository.rudn.ru/en/records/article/record/157652/
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