Crystal structure determination

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Crystal structure determination

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Crystal structure determination

Popis výsledku anglicky

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.

Druh

C - Kapitola v odborné knize

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název knihy nebo sborníku

Encyclopedia of Condensed Matter Physics

ISBN

978-032390800-9

Počet stran výsledku

12

Strana od-do

29-40

Počet stran knihy

4466

Název nakladatele

Elsevier

Místo vydání

Oxford

Kód UT WoS kapitoly

—