Results of sda02 indicate that MEL is the preferred phase in fluoride media because its total energy is lower than that for MTW (−40.754 and −40.736 eV/SiO 2). Sda08 is 1,2-dimethyl-3- (2-fluorobenzyl)imidazolium (cas-76). Sda07 is N, N-trimethyl-adamantammonium (cas-4). ![]() ![]() Sda03 is 6,10-dimethyl 5-azoniaspirodecane (cas-1), G77 in ref (27). Sda01 is N, N-dimethylpiperidinium (cas-1), G11 in ref (27). The names of the OSDAs, as well as their relation to the OSDAs in ref (27), and their respective CAS numbers are as follows: These are the targets that should be predicted by calculations. ![]() Only publications and OSDAs containing at least one zeolite synthesis through either route were selected, leading finally to eight OSDA molecules and the zeolite products in fluoride (left) and hydroxide (right) media indicated in Figure 1. A literature search was carried out with SciFinder, (39) leading to 157 publications on synthesis of all-silica zeolites, allowing one to pair each publication with the OSDAs employed, and classifying each as using either the fluoride or hydroxide route.
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