2017-04-18 03:05:18 +00:00
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volume ="43",
issue ="7",
pages ="2098-2111",
publisher ="The Royal Society of Chemistry",
doi ="10.1039/C3CS60279F",
url ="http://dx.doi.org/10.1039/C3CS60279F",
abstract ="Currently{,} organic crystal structure prediction (CSP) methods are based on searching for the most thermodynamically stable crystal structure{,} making various approximations in evaluating the crystal energy. The most stable (global minimum) structure provides a prediction of an experimental crystal structure. However{,} depending on the specific molecule{,} there may be other structures which are very close in energy. In this case{,} the other structures on the crystal energy landscape may be polymorphs{,} components of static or dynamic disorder in observed structures{,} or there may be no route to nucleating and growing these structures. A major reason for performing CSP studies is as a complement to solid form screening to see which alternative packings to the known polymorphs are thermodynamically feasible."}
2017-04-17 15:31:48 +00:00
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2017-04-13 08:41:16 +00:00
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2017-03-27 23:52:07 +00:00
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