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Crystal structure prediction stability ranking

Successful crystal structure prediction requires two essential ingredients. One of these is a method for accurately ranking the relative stabilities of different crystal packing alternatives available to the target compound and the other is a method for generating a complete list of all stable and meta stable polymorphs. Both these elements are discussed below. [Pg.47]

See other pages where Crystal structure prediction stability ranking is mentioned: [Pg.813]    [Pg.47]    [Pg.275]    [Pg.44]    [Pg.45]    [Pg.76]    [Pg.81]    [Pg.82]    [Pg.116]    [Pg.244]    [Pg.21]    [Pg.153]    [Pg.456]    [Pg.39]    [Pg.44]    [Pg.54]    [Pg.48]    [Pg.90]    [Pg.97]    [Pg.105]    [Pg.105]    [Pg.252]    [Pg.2479]    [Pg.65]    [Pg.113]   
See also in sourсe #XX -- [ Pg.60 ]



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Crystal prediction

Crystal stability

Crystal structure prediction

Crystal structure stability

Crystal structures, predicted

Crystallization predictions

Crystallization stability

Predicting structures

Rank

Ranking

Stability prediction

Stability structure

Stabilization structural

Structure Ranking

Structured-prediction

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