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Stabilization of small nitrogen clusters via spatial constraint

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dc.contributor.authorGimaldinova, M. A.
dc.contributor.authorZemenkov, L. I.
dc.contributor.authorMerinov, V. A.
dc.contributor.authorГимальдинова, Маргарита Александровна
dc.contributor.authorМеринов, Валерий Борисович
dc.date.accessioned2024-11-25T16:04:11Z
dc.date.available2024-11-25T16:04:11Z
dc.date.issued2020
dc.description.abstract© 2020 Published under licence by IOP Publishing Ltd.We apply density functional theory to calculate activation barriers for dissociations of small all-nitrogen clusters N4 and N6. The effect of external spatial constraint was also considered. We found that spatial constraint results in significant stabilization of both regarded clusters. So, the spatial constraint can be considered as an efficient method for stabilization of high-energy nitrogen structures.
dc.identifier.citationGimaldinova, M. A. Stabilization of small nitrogen clusters via spatial constraint / Gimaldinova, M.A., Zemenkov, L.I., Merinov, V.A. // Journal of Physics: Conference Series. - 2020. - 1435. - № 1. - 10.1088/1742-6596/1435/1/012062
dc.identifier.doi10.1088/1742-6596/1435/1/012062
dc.identifier.urihttps://www.doi.org/10.1088/1742-6596/1435/1/012062
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85078996724&origin=resultslist
dc.identifier.urihttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000617199500061
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/20243
dc.relation.ispartofJournal of Physics: Conference Series
dc.titleStabilization of small nitrogen clusters via spatial constraint
dc.typeConference Paper
dspace.entity.typePublication
oaire.citation.issue1
oaire.citation.volume1435
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