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  • In the recently proposed phenomenon, nuclear spin-induced circular dichroism (NSCD), collective magnetisation of nuclei induces circular dichroism in a light beam passing through a molecular sample. Here we present the first computational predictions of NSCD for fullerenes C60 and C70. We show that the NSCD signal is nucleus-specific, like in NMR spectroscopy. Thus, NSCD may provide a new and promising, high-resolution observable for experimental identification of chemical compounds.
  • In the recently proposed phenomenon, nuclear spin-induced circular dichroism (NSCD), collective magnetisation of nuclei induces circular dichroism in a light beam passing through a molecular sample. Here we present the first computational predictions of NSCD for fullerenes C60 and C70. We show that the NSCD signal is nucleus-specific, like in NMR spectroscopy. Thus, NSCD may provide a new and promising, high-resolution observable for experimental identification of chemical compounds. (en)
Title
  • Nuclear spin circular dichroism in fullerenes: a computational study
  • Nuclear spin circular dichroism in fullerenes: a computational study (en)
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  • Nuclear spin circular dichroism in fullerenes: a computational study
  • Nuclear spin circular dichroism in fullerenes: a computational study (en)
skos:notation
  • RIV/61388963:_____/14:00435561!RIV15-GA0-61388963
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  • I, P(GA14-03564S)
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  • 96
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  • 33231
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  • RIV/61388963:_____/14:00435561
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  • nuclear spin circular dichroism; fullerenes; C60; C70; density functional calculations; magnetic circular dichroism (en)
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  • GB - Spojené království Velké Británie a Severního Irska
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  • [7AB79FC77188]
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  • Chemical Communications
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  • 50
http://linked.open...iv/tvurceVysledku
  • Straka, Michal
  • Štěpánek, Petr
  • Vaara, J.
  • Coriani, S.
http://linked.open...ain/vavai/riv/wos
  • 000344997100026
issn
  • 1359-7345
number of pages
http://bibframe.org/vocab/doi
  • 10.1039/c4cc07271e
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