Razrabotka Programmnogo Kompleksa Predskazaniya: Kristallicheskikh Struktur Metodom Diskretnogo Modelirovaniya - Dmitriy Blinov - Books - LAP LAMBERT Academic Publishing - 9783659626265 - October 22, 2014
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Razrabotka Programmnogo Kompleksa Predskazaniya: Kristallicheskikh Struktur Metodom Diskretnogo Modelirovaniya Russian edition


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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