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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 ...
Fukui's own work looked at the frontier orbitals, and in particular the effects of the highest occupied molecular orbital and the lowest unoccupied molecular orbital on reaction mechanisms, which led to it being called frontier molecular orbital theory (FMO theory).
Present in the samples were 14 of the 20 organic compounds called amino acids that are used to make proteins - complex molecules that play indispensable roles in the structure, function and ...
This response function is important as the reaction of two components A and B involving a transfer of electrons will depend on the responsiveness of the electron density to electron donation or acceptance, i.e. the derivative of the Fukui function () = (). In fact, from a simplistic viewpoint, the dual descriptor function gives a readout on the ...
Deep in the archives of the magazine, I discovered simple versions of ambrosia salad with fresh oranges, coconut and whipped cream and more elaborate takes with homemade custard sauce.
It helps improve vision, digestion and heart function, as well as sustaining healthy pregnancy and fetal development for cats. Healthy fats in eggs – such as omega-3 and omega-6 fatty acids ...
MATLAB (an abbreviation of "MATrix LABoratory" [18]) is a proprietary multi-paradigm programming language and numeric computing environment developed by MathWorks.MATLAB allows matrix manipulations, plotting of functions and data, implementation of algorithms, creation of user interfaces, and interfacing with programs written in other languages.