Search results
Results From The WOW.Com Content Network
The condensed Fukui function or condensed reactivity indicator is the same idea, but applied to an atom within a molecule, rather than a point in three-dimensional space. The Fukui function allows one to predict, using density functional theory , where the most electrophilic and nucleophilic sites of a molecule are.
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 ...
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 .
6.1 As real function of a real argument. 6.2 As complex function of a complex argument. 7 References. 8 Further reading. 9 External links. Toggle the table of contents.
"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)
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.
Signal transducer and activator of transcription 6 (STAT6) is a transcription factor that belongs to the Signal Transducer and Activator of Transcription (STAT) family of proteins. [5] The proteins of STAT family transmit signals from a receptor complex to the nucleus and activate gene expression .
Wikifunctions is a collaboratively edited catalog of computer functions to enable the creation, modification, and reuse of source code. [2] [3] It is closely related to Abstract Wikipedia, an extension of Wikidata to create a language-independent version of Wikipedia using its structured data.