Kazan Federal University Digital Repository

Ab initio calculation of the NMR spin-lattice relaxation time and the diffusion coefficient of 21Ne in liquid and supercritical states

Show simple item record

dc.contributor.author Kirchner B.
dc.contributor.author Ermakova E.
dc.contributor.author Steinebrunner G.
dc.contributor.author Dyson A.
dc.contributor.author Huber H.
dc.date.accessioned 2018-09-17T20:27:32Z
dc.date.available 2018-09-17T20:27:32Z
dc.date.issued 1998
dc.identifier.issn 0026-8976
dc.identifier.uri https://dspace.kpfu.ru/xmlui/handle/net/133512
dc.description.abstract Molecular dynamics simulations are performed with ab initio calculated potentials and electric field gradient curves on different levels of approximation, to study their influence on the relaxation time and diffusion coefficient of fluid 21Ne. Additional properties, such as quadrupole couplings, effective electric field gradient correlation times, and diffusion correlation times, are studied to get a better understanding of the underlying mechanisms. Semi-quantitative models for the total, self and cross correlation functions of the electric field gradient are developed.
dc.relation.ispartofseries Molecular Physics
dc.title Ab initio calculation of the NMR spin-lattice relaxation time and the diffusion coefficient of 21Ne in liquid and supercritical states
dc.type Article
dc.relation.ispartofseries-issue 2
dc.relation.ispartofseries-volume 94
dc.collection Публикации сотрудников КФУ
dc.relation.startpage 257
dc.source.id SCOPUS00268976-1998-94-2-SID0000157363


Files in this item

This item appears in the following Collection(s)

  • Публикации сотрудников КФУ Scopus [24551]
    Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.

Show simple item record

Search DSpace


Advanced Search

Browse

My Account

Statistics