Title: Crystal Structure Prediction : Crystal structure, Simulated annealing, Genetic algorithm, Distributed multipole analysis, Data mining, Density functional theory
Publisher: Omniscriptum
Publication Date: 2010
Language: English
ISBN 10: 6133749571
ISBN 13: 9786133749573
Binding: Taschenbuch
Condition: Neu
Dimensions: 220 millimeters width by 150 millimeters height by 5 millimeters depth
Weight: 137 grams

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Please note that the content of this book primarily consists of articles available from Wikipedia or other free sources online. Crystal structure prediction (CSP) is the calculation of the crystal structure 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, genetic algorithms, distributed multipole analysis, data mining, density functional theory and molecular mechanics.

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