The electrophilic descriptor
Through an alternative scheme of representation of energy as a function of the number of electrons, and using the canonical ensemble model, a new electrophilicity descriptor was developed. In our development, we accept the idea that when a system begins to accept electrons from the surroundings, its...
- Autores:
-
Figueredo, S.
Páez, M.
Torres Hoyos, Francisco José
- Tipo de recurso:
- Article of journal
- Fecha de publicación:
- 2019
- Institución:
- Universidad Cooperativa de Colombia
- Repositorio:
- Repositorio UCC
- Idioma:
- OAI Identifier:
- oai:repository.ucc.edu.co:20.500.12494/41435
- Acceso en línea:
- https://doi.org/10.1016/j.hipert.2019.03.004
https://www.espirituemprendedortes.com/index.php/revista/article/view/126
https://hdl.handle.net/20.500.12494/41435
- Palabra clave:
- Chemical potential
Conceptual DFT
Electrophilic descriptor
Electrophilic reactivity
Hardness
- Rights
- closedAccess
- License
- http://purl.org/coar/access_right/c_14cb