RESEARCH OF PHYSICO-CHEMICAL PROPERTIES OF SOME EXPLOSIVES BY COMPUTER MODELLING
Using the computer modeling, within density functional theory, as well as using a localized basis set and the B3LYP hybrid functional, the geometric parameters of the molecules of energetic materials of TATB, PETN, RDX, TNB, TNTA, Si-PETN, C2N5O2H3 and C3N5O4H3 have been obtained, and the mechanis...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Kemerovo State University
2014-11-01
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| Series: | Вестник Кемеровского государственного университета |
| Subjects: | |
| Online Access: | https://vestnik.kemsu.ru/jour/article/view/1081 |