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Nitro Derivatives of Silaprismanes as High-Energy Compounds: Theoretical Study

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dc.contributor.authorKochaev, A. I.
dc.contributor.authorSalem, M. A.
dc.contributor.authorGimaldinova, M. A.
dc.contributor.authorKatin, K. P.
dc.contributor.authorRyzhuk, R. V.
dc.contributor.authorKargin, N. I.
dc.contributor.authorMaslov, M. M.
dc.contributor.authorГимальдинова, Маргарита Александровна
dc.contributor.authorКатин, Константин Петрович
dc.contributor.authorРыжук, Роман Валериевич
dc.contributor.authorКаргин, Николай Иванович
dc.contributor.authorМаслов, Михаил Михайлович
dc.date.accessioned2024-11-21T09:56:38Z
dc.date.available2024-11-21T09:56:38Z
dc.date.issued2019
dc.description.abstractWe present ab initio study of structures and properties of silaprismanes Si2nH2n and their nitro derivatives Si2nH2n-1NO2 (n = 3-10). We found that silaprismane Si10H9NO2 possesses the highest stability among all studied cages. Attached NO2 group results in weak decreasing of the HOMO-LUMO gap. The smaller prismanes bind with NO2 groups more strongly. The comparison between silaprismanes and carbon prismanes is also discussed.
dc.identifier.citationNitro Derivatives of Silaprismanes as High-Energy Compounds: Theoretical Study / Kochaev, A, I [et al.] // International Journal of Nanoscience. - 2019. - 18. - № 3-4. - 10.1142/S0219581X19400477
dc.identifier.doi10.1142/S0219581X19400477
dc.identifier.urihttps://www.doi.org/10.1142/S0219581X19400477
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85068102266&origin=resultslist
dc.identifier.urihttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000472775200048
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/18329
dc.relation.ispartofInternational Journal of Nanoscience
dc.titleNitro Derivatives of Silaprismanes as High-Energy Compounds: Theoretical Study
dc.typeConference Paper
dspace.entity.typePublication
oaire.citation.issue3-4
oaire.citation.volume18
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