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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 ...
Maple, a general-purpose commercial mathematics software package. Mathcad offers a WYSIWYG interface and the ability to generate publication-quality mathematical equations. Mathematica offers numerical evaluation, optimization and visualization of a very wide range of numerical functions. It also includes a programming language and computer ...
This is a list of open-source software to be used for high-order mathematical calculations. This software has played an important role in the field of mathematics. [1] Open-source software in mathematics has become pivotal in education because of the high cost of textbooks. [2]
Both free and paid versions are available. It can handle Microsoft Excel .xls and .xlsx files, and also produce other file formats such as .et, .txt, .csv, .pdf, and .dbf. It supports multiple tabs, VBA macro and PDF converting. [10] Lotus SmartSuite Lotus 123 – for MS Windows. In its MS-DOS (character cell) version, widely considered to be ...
List of software for Monte Carlo molecular modeling; Comparison of software for molecular mechanics modeling; Molecular design software; Molecule editor; Molecular modeling on GPUs; List of software for nanostructures modeling; Semi-empirical quantum chemistry method; Computational chemical methods in solid-state physics, with periodic boundary ...
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 ...
A simple arithmetic calculator was first included with Windows 1.0. [5]In Windows 3.0, a scientific mode was added, which included exponents and roots, logarithms, factorial-based functions, trigonometry (supports radian, degree and gradians angles), base conversions (2, 8, 10, 16), logic operations, statistical functions such as single variable statistics and linear regression.
The operating systems the software can run on natively (without emulation).Android and iOS apps can be optimized for Chromebooks and iPads which run the operating systems ChromeOS and iPadOS respectively, the operating optimizations include things like multitasking capabilities, large and multi-display support, better keyboard and mouse support.