Molecular Screening of High-Energy Nitrocompounds

Molecular Screening of High-Energy Nitrocompounds Full article

Journal

Mendeleev Communications
ISSN: 1364-551X , E-ISSN: 0959-9436

Output data

Year: 1991, Volume: 1, Number: 4, Pages: 122-124 Pages count : 3 DOI: 10.1070/mc1991v001n04abeh000075

Authors

Pivina Tatyana S. ¹ , Shlyapochnikov Vladimir A. ¹ , Molchanova Marina S. ¹ , Agranov Gennadiy Kh. ² , Rukin Vladimir L. ²

Affiliations

1	N.D. Zelinsky Institute of Organic Chemistry, Academy of Sciences of the USSR, 117913 Moscow, USSR
2	Lensoviet Technology Institute, 198013 Leningrad, USSR

An effective method for the molecular screening of compounds within a particular range of formation enthalpies has been developed; this approach is identical to the classification problem and is handled by the method of logical correlations, the inclusion of a substance in a given range of enthalpies being determined by the presence of informative local features in the structural topology of the compound; the high predictive ability of the method is demonstrated by the screening of high-energy nitrocompounds.

Pivina T.S. , Shlyapochnikov V.A. , Molchanova M.S. , Agranov G.K. , Rukin V.L.
Molecular Screening of High-Energy Nitrocompounds
Mendeleev Communications. 1991. V.1. N4. P.122-124. DOI: 10.1070/mc1991v001n04abeh000075 Scopus OpenAlex

Scopus:	2-s2.0-85018772799
OpenAlex:	W2075807438

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