Carbon and silicon triangulenes: searching for molecular magnets View Full Text


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Article Info

DATE

2011-08

AUTHORS

O. A. Gapurenko, A. G. Starikov, R. M. Minyaev, V. I. Minkin

ABSTRACT

The structures of a number of neutral high-spin, triangular carbon and silicon systems were studied and their stabilities were predicted using the density functional theory methods (B3LYP functional with the 6-311++G** and 6-311+G** basis sets). The calculated spin-spin coupling constants have high positive values, thus indicating strong ferromagnetic interactions in the title systems. More... »

PAGES

1517-1524

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s11172-011-0226-4

DOI

http://dx.doi.org/10.1007/s11172-011-0226-4

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1013048636


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