Multicenter Bonding in Open-Shell Systems. A Nonlinear Population Analysis Approach

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This study reports an extension of our previously described method of nonlinear population analysis to the study of open-shell systems. The results clearly show that this procedure allows one to detect and to localize the presence of multicenter bonding in this type of system. A comparison between t...

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Detalles Bibliográficos
Autores principales: Ponec, R., Torre, A., Lain, L., Bochicchio, R.C.
Formato: JOUR
Materias:
Multicenter bonding
Open-shell systems
Population analysis
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00207608_v77_n4_p710_Ponec
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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