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Razrabotka Programmnogo Kompleksa Predskazaniya: Kristallicheskikh Struktur Metodom Diskretnogo Modelirovaniya Dmitriy Blinov Russian edition
Razrabotka Programmnogo Kompleksa Predskazaniya: Kristallicheskikh Struktur Metodom Diskretnogo Modelirovaniya
Dmitriy Blinov
V poslednie gody aktiviziruetsya interes issledovateley k predskazaniyu kristallicheskikh struktur. Etot interes ob"yasnyaetsya ryadom problem, v reshenii kotorykh mogut byt' ispol'zovany algoritmy predskazaniya. V chastnosti, k prikladnym aspektam mozhno otnesti poisk novykh polimorfnykh faz lekarstvennykh soedineniy, vysokoplotnykh energeticheskikh veshchestv, novykh nelineyno-opticheskikh materialov. Metod diskretnogo modelirovaniya molekulyarnykh upakovok v kristallakh prizvan reshat' problemu matematicheskogo opisaniya vzaimnogo raspolozheniya molekul v kristalle po vozmozhnosti men'shim chislom parametrov, a takzhe zadachu apriornogo predskazaniya vozmozhnykh kristallicheskikh struktur dannogo khimicheskogo soedineniya. Priveden algoritm polnogo perebora sposobov upakovki neskol'kikh diskretnykh modeley molekul (polikubov), kotoryy byl realizovan v komplekse komp'yuternykh programm.
| Media | Books Paperback Book (Book with soft cover and glued back) |
| Released | October 22, 2014 |
| ISBN13 | 9783659626265 |
| Publishers | LAP LAMBERT Academic Publishing |
| Pages | 88 |
| Dimensions | 5 × 150 × 220 mm · 149 g |
| Language | German |
See all of Dmitriy Blinov ( e.g. Paperback Book )