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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 ...
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 ...
Codes for electromagnetic scattering by cylinders – this article list codes for electromagnetic scattering by a cylinder. Majority of existing codes for calculation of electromagnetic scattering by a single cylinder are based on Mie theory , which is an analytical solution of Maxwell's equations in terms of infinite series.
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.
Year Name Authors References Language Short Description 1983 BHMIE [3]: Craig F. Bohren and Donald R. Huffman [1]Fortran IDL Matlab C Python "Mie solutions" (infinite series) to scattering, absorption and phase function of electromagnetic waves by a homogeneous sphere.
Speaking almost exclusively in English even with a Spanish-language interpreter standing next to him, the 2023 NL MVP estimated his knee at 90-95%. “I feel great,” Acuña said Friday. Acuña ...
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.
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 .