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Journal ArticleDOI

Novel, remarkably stable polylithiated carbon species : CLi8, CLi10, and CLi12

Joseph Ivanic, +1 more
- 01 Aug 1993 - 
- Vol. 115, Iss: 16, pp 7503-7504
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This article is published in Journal of the American Chemical Society.The article was published on 1993-08-01. It has received 36 citations till now. The article focuses on the topics: Carbon & Inorganic compound.

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Beyond Classical Stoichiometry: Experiment and Theory

TL;DR: In this paper, the authors consider nonstoichiometric molecules consisting of only four or five atoms and show the great variety of molecules and bonding that can be derived from this class of seemingly simple species.
Journal ArticleDOI

Low ionization potentials of binuclear superalkali B2Li11

TL;DR: The studied binuclear superalkalies added candidates to the research on superatoms and offered potential building blocks for the assembly of new materials in which strong electron donors are involved and demonstrated that the doped nonmetal atoms make the molecular orbital-level distribution of heteronuclear species much more complex than that of homonuclear metal clusters.
Journal ArticleDOI

Structural and electronic properties of boron-doped lithium clusters: ab initio and DFT studies.

TL;DR: The unique stability of the 8‐valence electron BLi5 can be understood from the cluster electronic shell model (CSM), however, in contradiction to the prediction of the CSM, the 2s level is filled prior to the 1d level in the BLin clusters.
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Magnetic superatoms in VLi(n) (n = 1-13) clusters: a first-principles prediction.

TL;DR: The results show that the tailored magnetic building blocks for nanomaterials can be formed by seeding magnetic dopants into alkali metal cluster cages.
Journal ArticleDOI

Hypermetallation is ubiquitous: MX6 molecules (MCPb, XLiK)

TL;DR: The octahedral MX 6 hypermetallated clusters (M  C, Si, Ge, Sn, Pb and X ) all are stable minima as discussed by the authors.
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