KLD: a program to elucidate the localization of the Fermi and Coulomb holes in molecular systems
Context: The electron localization is a concept that allows scientists to better understand the physical and chemical properties of electronic systems. It is associated with the propensity of electron pairs with opposite spins to accumulate as well as with their response to external perturbations. T...
- Autores:
- Tipo de recurso:
- Fecha de publicación:
- 2024
- Institución:
- Universidad del Rosario
- Repositorio:
- Repositorio EdocUR - U. Rosario
- Idioma:
- eng
- OAI Identifier:
- oai:repository.urosario.edu.co:10336/44816
- Acceso en línea:
- https://doi.org/10.1007/s00894-024-06070-4
https://repository.urosario.edu.co/handle/10336/44816
- Palabra clave:
- Catalysis
Computer Science Applications
Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry
Computational Theory
Mathematics
- Rights
- License
- Attribution-NonCommercial-NoDerivatives 4.0 International