Crystal structure determination

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F24%3A00604590" target="_blank" >RIV/68378271:_____/24:00604590 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/B978-0-323-90800-9.00211-0" target="_blank" >http://dx.doi.org/10.1016/B978-0-323-90800-9.00211-0</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/B978-0-323-90800-9.00211-0" target="_blank" >10.1016/B978-0-323-90800-9.00211-0</a>

Result language
angličtina
Original language name
Crystal structure determination
Original language description
Determination of crystal structures from diffraction requires first the solution of the crystallographic phase problem. Solving the phase problem is equivalent to the determination of atomic positions in the crystal structure and, as such, it is an essential part of the structure determination. Numerous methods have been developed for this purpose. They can be classified into several classes: ab initio methods include Patterson method, direct methods and dual space iterative algorithms. These methods do not require much more information than the diffraction data. Direct space methods like simulated annealing and genetic algorithms are used mostly for structure solution from powder diffraction data. They can handle lower data quality, but they require additional information, typically molecular connectivity.
Czech name
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Czech description
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Type
C - Chapter in a specialist book
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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