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Indeed, we found, and subsequent research has confirmed [8, 9], that this flexibility window phenomenon is almost universal in all known zeolites, with only a single known exception (framework GOO, goosecreekite), but is very uncommon in hypothetical structures.
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This has been identified as a rejection criterion in surveys of hypothetical structures [2].
The corrugated C11 6) chain in the experimental structure is approximately of planar geometry in the hypothetical structure, with all moleules of π···π stacked C11 6) chains being tilted in one direction only, whereas there are two directions of tilt in the experimental structure.
This immediately suggests that the existence of a flexibility window in a hypothetical structure is one of the missing criteria for the selection of good candidates for synthesis.
As the location of hydrogen atoms based on PXRD data has always been challenging, often resulting in misplaced protons, we used lattice energy minimization of hypothetical structures differing only in hydrogen atom positions, to derive the proton positions as those in the energetically most stable structure.
Much computational effort has been and is being expended in the generation of new hypothetical structures.
We thank Katherine Ketchum for her help in constructing the hypothetical structure in Figure 7B.
Clearly a large number of the hypothetical structures are not, in fact, plausible candidates for synthesis.
Firstly, many of the predicted hypothetical structures are not in fact feasible, so identifying the truly feasible candidates is challenging.
It may therefore be speculated, based on these hypothetical structures, that the 5' proximal coding region plays an important role in controlling translation initiation.
As rendered by the illustrator Hugh Ferriss in his 1929 classic of visionary architecture, "The Metropolis of Tomorrow," these "bridge apartment houses" remain among the most wonderfully outlandish of New York's hypothetical structures.
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