Français
2. DFT theory of chemical reactivity
In DFT, the energy of a system with N electrons subjected to an external field u (r ) due to the nuclei that keeps the electrons in a region of space can be written as a function of N and a functional of u (r ) :
The Ultimate Scientific and Technical Reference
A Comprehensive Knowledge Base, with over 1,200 authors and 100 scientific advisors
+ More than 10,000 articles and 1,000 how-to sheets, over 800 new or updated articles every year
From design to prototyping, right through to industrialization, the reference for securing the development of your industrial projects
This article is included in
Physics and chemistry
This offer includes:
Knowledge Base
Updated and enriched with articles validated by our scientific committees
Services
A set of exclusive tools to complement the resources
Practical Path
Operational and didactic, to guarantee the acquisition of transversal skills
Doc & Quiz
Interactive articles with quizzes, for constructive reading
Ongoing reading
DFT theory of chemical reactivity
DFT theory of chemical reactivity
Chemical reaction analysis
Bibliography
The Ultimate Scientific and Technical Reference
A Comprehensive Knowledge Base, with over 1,200 authors and 100 scientific advisors
+ More than 10,000 articles and 1,000 how-to sheets, over 800 new or updated articles every year
From design to prototyping, right through to industrialization, the reference for securing the development of your industrial projects
