Treatment of non-nuclear attractors within the theory of atoms in molecules II: Energy decompositions

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This work describes the partitioning of the electronic energy in systems in which the atoms in molecules theory predicts the existence of non-nuclear attractors. The procedure is based on our previous proposals within studies of topological population analysis [D.R. Alcoba, L. Lain, A. Torre, R.C. B...

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Detalles Bibliográficos
Autores principales: Alcoba, D.R., Lain, L., Torre, A., Bochicchio, R.C.
Formato: JOUR
Materias:
Acetylene
Decomposition
Electron energy levels
Numerical analysis
Topology
Dilithium molecules
Electronic energy
Energy decompositions
Topological population
Molecular dynamics
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00092614_v426_n4-6_p426_Alcoba
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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