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Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26845
Abstract: Density functional theory (DFT) is used to explore the structure, stability, and bonding in CSiGaAl2−/0 and CGeGaAl2−/0 systems having planar tetracoordinate carbon (ptC). The neutral systems have 17 valence electrons and the mono‐anionic systems have…
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Keywords:
valence;
tetracoordinate carbon;
csigaal2 cgegaal2;
planar tetracoordinate ... See more keywords
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2
Published in 2023 at "Chemical communications"
DOI: 10.1039/d3cc00855j
Abstract: In this work, we analyzed the bonding and fluxional character of the global minimum of CAl11-. Its structure is formed by two stacked layers, one of them resembles the well-known planar tetracoordinate carbon CAl4 on…
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Keywords:
cal11 molecular;
molecular rotor;
tetracoordinate carbon;
planar tetracoordinate ... See more keywords