Fukui function
id:
fukui-function-266-14485374
title:
Fukui function
text:
In computational chemistry, the Fukui function or frontier function is a function that describes the electron density in a frontier orbital, as a result of a small change in the total number of electrons. The condensed Fukui function or condensed reactivity indicator is the same idea, but applied to an atom within a molecule, rather than a point in three-dimensional space. The Fukui function allows one to predict, using density functional theory, where the most electrophilic and nucleophilic sit
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wiki
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encyclopedia
description:
original url:
https://en.wikipedia.org/wiki/Fukui_function
date created:
date modified:
2022-03-20T17:31:57Z
main entity:
{"identifier":"Q5507650","url":"https://www.wikidata.org/entity/Q5507650"}
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fields total:
13
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13