graduate student
Yaroslavl, Yaroslavl, Russian Federation
student
Yaroslavl, Yaroslavl, Russian Federation
Yaroslavl, Yaroslavl, Russian Federation
Provedeno kvantovo-himicheskoe modelirovanie metodom REVPBE0 3,4-digidro-2H-tiopiran-1,1-dioksida,3,4,6-trifenil-3,4-digidro-2H-tiopiran-1,1-dioksida i ih anionov. Rasschitany svobodnye energii Gibbsa dlya reakcii ih vzaimodeystviya s gidroksid anionom v kachestve osnovaniya. Ustanovleno razlichie v kislotnyh svoystvah protonov 2H-tiopiranovyh kolec i polozheniya reakcionnyh centrov v posleduyuschih reakciyah s uchastiem obrazuyuschihsya anionov.
3,4-digidro-2H-tiopiran-1,1-dioksidy, kislotnost', kvantovo himicheskoe modelirovanie, metod REVPBE0
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