| dbo:abstract |
The Multipole Density Formalism (also referred to as Hansen-Coppens Formalism) is an X-ray crystallography method of electron density modelling proposed by and Philip Coppens in 1978. Unlike the commonly used , the Hansen-Coppens Formalism presents an aspherical approach, allowing one to model the electron distribution around a nucleus separately in different directions and therefore describe numerous chemical features of a molecule inside the unit cell of an examined crystal in detail. (en) Formalizm gęstości multipolowej (ang. Multipole Density Formalism, określany również jako formalizm Hansena-Coppensa) – metoda krystalografii rentgenowskiej modelowania gęstości elektronowej zaproponowaną przez Nielsa K. Hansena i Philipa Coppensa w 1978 roku. W przeciwieństwie do powszechnie używanego modelu niezależnych atomów, formalizm Hansena-Coppensa prezentuje podejście asferyczne, pozwalające oddzielnie modelować rozkład elektronów wokół jądra w różnych kierunkach, a tym samym szczegółowo opisywać liczne cechy chemiczne cząsteczki wewnątrz komórki elementarnej badanego kryształu. (pl) |
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The Multipole Density Formalism (also referred to as Hansen-Coppens Formalism) is an X-ray crystallography method of electron density modelling proposed by and Philip Coppens in 1978. Unlike the commonly used , the Hansen-Coppens Formalism presents an aspherical approach, allowing one to model the electron distribution around a nucleus separately in different directions and therefore describe numerous chemical features of a molecule inside the unit cell of an examined crystal in detail. (en) Formalizm gęstości multipolowej (ang. Multipole Density Formalism, określany również jako formalizm Hansena-Coppensa) – metoda krystalografii rentgenowskiej modelowania gęstości elektronowej zaproponowaną przez Nielsa K. Hansena i Philipa Coppensa w 1978 roku. W przeciwieństwie do powszechnie używanego modelu niezależnych atomów, formalizm Hansena-Coppensa prezentuje podejście asferyczne, pozwalające oddzielnie modelować rozkład elektronów wokół jądra w różnych kierunkach, a tym samym szczegółowo opisywać liczne cechy chemiczne cząsteczki wewnątrz komórki elementarnej badanego kryształu. (pl) |
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Multipole density formalism (en) Model multipolowy gęstości elektronowej (pl) |
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