Search results
Results From The WOW.Com Content Network
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.
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.
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.
The first family of Minnesota functionals, published in 2005, is composed by: M05: [13] Global hybrid functional with 28% HF exchange. M05-2X [14] Global hybrid functional with 56% HF exchange.
Physics-informed neural networks for solving Navier–Stokes equations. Physics-informed neural networks (PINNs), [1] also referred to as Theory-Trained Neural Networks (TTNs), [2] are a type of universal function approximators that can embed the knowledge of any physical laws that govern a given data-set in the learning process, and can be described by partial differential equations (PDEs).
Simulink is a MATLAB-based graphical programming environment for modeling, simulating and analyzing multidomain dynamical systems. Its primary interface is a graphical block diagramming tool and a customizable set of block libraries. It offers tight integration with the rest of the MATLAB environment and can either drive MATLAB or be scripted ...