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Description
| - We present an experimental and computational study of the oligomerization in icosahedral closo-(car)boranes Li-2[B12H12] (I) and Li[CB11H12] (II). The experiments were performed on a hybrid ESI-TQ-FT-ICR mass spectrometer equipped with a 7.0 T superconducting magnet. The computational study consisted of finding energy minimum structures for the molecules I, II and the derived anions [B12H12](2-), [CB11H12](-), [I-2-Li](-), and [II2-Li](-), as well as an estimate for the dissociation energy in the processes [X-2-Li](-) -> X + [X-Li](-) with X = I, II. Comparison of experiments and computations shows an excellent agreement for the bond dissociation energy in the process [II2-Li](-) -> II + [II-Li](-) with Delta E = 1.5 eV.
- We present an experimental and computational study of the oligomerization in icosahedral closo-(car)boranes Li-2[B12H12] (I) and Li[CB11H12] (II). The experiments were performed on a hybrid ESI-TQ-FT-ICR mass spectrometer equipped with a 7.0 T superconducting magnet. The computational study consisted of finding energy minimum structures for the molecules I, II and the derived anions [B12H12](2-), [CB11H12](-), [I-2-Li](-), and [II2-Li](-), as well as an estimate for the dissociation energy in the processes [X-2-Li](-) -> X + [X-Li](-) with X = I, II. Comparison of experiments and computations shows an excellent agreement for the bond dissociation energy in the process [II2-Li](-) -> II + [II-Li](-) with Delta E = 1.5 eV. (en)
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Title
| - Anionic Oligomerization of Li-2[B12H12] and Li[CB11H12]: An Experimental and Computational Study
- Anionic Oligomerization of Li-2[B12H12] and Li[CB11H12]: An Experimental and Computational Study (en)
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skos:prefLabel
| - Anionic Oligomerization of Li-2[B12H12] and Li[CB11H12]: An Experimental and Computational Study
- Anionic Oligomerization of Li-2[B12H12] and Li[CB11H12]: An Experimental and Computational Study (en)
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skos:notation
| - RIV/61388980:_____/13:00391964!RIV14-GA0-61388980
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/61388980:_____/13:00391964
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - mass-spectrometry; carboranes; chemistry (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - US - Spojené státy americké
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - Journal of Physical Chemistry C
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Holub, Josef
- Gonzalez, J.
- Hnyk, Drahomír
- Dávalos, J. Z.
- Guerrero, A.
- Oliva, J. M.
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http://linked.open...ain/vavai/riv/wos
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issn
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number of pages
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http://bibframe.org/vocab/doi
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