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The Fukui function is named after Kenichi Fukui, who investigated the frontier orbitals described by the function, specifically the HOMO and LUMO. [3] Fukui functions are related in part to the frontier molecular orbital theory (also known as the Fukui theory of reactivity and selection, also developed by Kenichi Fukui) which discusses how nucleophiles attack the HOMO while at the same time ...
In 1952, Kenichi Fukui published a paper in the Journal of Chemical Physics titled "A molecular theory of reactivity in aromatic hydrocarbons." [1] Though widely criticized at the time, he later shared the Nobel Prize in Chemistry with Roald Hoffmann for his work on reaction mechanisms.
Kenichi Fukui (福井 謙一, Fukui Ken'ichi, October 4, 1918 – January 9, 1998) was a Japanese chemist. [1] He became the first person of East Asian ancestry to be awarded the Nobel Prize in Chemistry when he won the 1981 prize with Roald Hoffmann , for their independent investigations into the mechanisms of chemical reactions .
In most coding conventions for these languages, programmers conventionally indent the code within a block, to visually set it apart from the surrounding code. A recursive function named foo, which is passed a single parameter, x, and if the parameter is 0 will call a different function named bar and otherwise will call baz, passing x, and also ...
Yang's main contributions to theoretical chemistry range from fundamental theory to applications of density functional theory. He (with Parr) developed the concepts of the Fukui function, [1] hardness, and softness [2] in density functional theory. He also justified the theoretical ground of potential functional (as in Optimized-Effective ...
The test functions used to evaluate the algorithms for MOP were taken from Deb, [4] Binh et al. [5] and Binh. [6] The software developed by Deb can be downloaded, [ 7 ] which implements the NSGA-II procedure with GAs, or the program posted on Internet, [ 8 ] which implements the NSGA-II procedure with ES.
"The f+ function represents the initial stage of a reaction in which the molecule of interest acts as an electrophile. The f- function, on the other hand, represents the initial stage of a reaction in which the molecule of interest acts as nucleophile." 129.82.95.87 16:12, 18 May 2023 (UTC)
Plot of normalized function (i.e. ()) with its spectral frequency components.. The unitary Fourier transforms of the rectangular function are [2] = = (), using ordinary frequency f, where is the normalized form [10] of the sinc function and = (/) / = (/), using angular frequency , where is the unnormalized form of the sinc function.