Crystal structure prediction
Crystal structure prediction (CSP) is the calculation of the crystal structures of solids from first principles. Reliable methods of predicting the crystal structure of a compound, based only on its molecular structure, has been a goal of the physical sciences since the 1950s. Computational methods employed include simulated annealing, evolutionary algorithms, distributed multipole analysis, random sampling, basin hopping, data mining, density functional theory and molecular mechanics.
Crystal structure prediction
Crystal structure prediction (CSP) is the calculation of the crystal structures of solids from first principles. Reliable methods of predicting the crystal structure of a compound, based only on its molecular structure, has been a goal of the physical sciences since the 1950s. Computational methods employed include simulated annealing, evolutionary algorithms, distributed multipole analysis, random sampling, basin hopping, data mining, density functional theory and molecular mechanics.
has abstract
Crystal structure prediction ( ...... heory and molecular mechanics.
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Предсказание кристаллической с ...... ости и молекулярная механика .
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Wikipage page ID
22,832,517
Wikipage revision ID
741,633,294
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Crystal structure prediction ( ...... heory and molecular mechanics.
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Предсказание кристаллической с ...... ости и молекулярная механика .
@ru
label
Crystal structure prediction
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Предсказание кристаллической структуры
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