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...

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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
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Attribution-NonCommercial-NoDerivatives 4.0 International