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Institute of Physical and Organic Chemistry at Southern Federal University
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Predictive power of quantum-chemical calculations

In September, 2017 the paper by IPOC SFedU researchers was published, in which by means of quantum-chemical modeling the possibility of existance of ultralight crystalline allotropic form of aluminium on the basis tetrahedral structure has been predicted.

I.V. Getmanskii, V.V. Koval, R.M. Minyaev, A. I. Boldyrev, V.I. Minkin, "Supertetrahedral Aluminum – A New Allotropic Ultralight Crystalline Form of Aluminum", The Journal of Physical Chemistry C DOI: 10.1021/acs.jpcc.7b07565 (Impact Factor = 4.536).

 


Hits: 1220. Created: Friday, 13 October 2017. Modified: Friday, 13 October 2017.
 
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