Abstract:
The quantum chemical modeling of new solid state structures based on a diamond lattice in which pairs of carbon atoms are replaced by B4X fragments (where B4 is a tetrahedron and X are B, C, Al or Si atoms) has been performed using density functional calculations.
Citation:
I. V. Getmanskii, R. M. Minyaev, V. V. Koval, V. I. Minkin, “Quantum chemical modeling of solid-state B4X structures containing tetrahedral B4 units with X = B, C, Al, Si”, Mendeleev Commun., 28:2 (2018), 173–175
Linking options:
https://www.mathnet.ru/eng/mendc1703
https://www.mathnet.ru/eng/mendc/v28/i2/p173
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