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:
- 2023
- Institución:
- Universidad Cooperativa de Colombia
- Repositorio:
- Repositorio UCC
- Idioma:
- OAI Identifier:
- oai:repository.ucc.edu.co:20.500.12494/50959
- Acceso en línea:
- https://doi.org/10.1016/j.comptc.2019.04.011
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85064489112&doi=10.1016%2fj.comptc.2019.04.011&partnerID=40&md5=ed30b0d8d240595c576ae8949702c7b4
https://hdl.handle.net/20.500.12494/50959
- Palabra clave:
- CONCEPTUAL DFT
CHEMICAL POTENTIAL
ELECTROPHILIC DESCRIPTOR
ELECTROPHILIC REACTIVITY
HARDNESS
- Rights
- openAccess
- License
- http://purl.org/coar/access_right/c_abf2