The UHF extension of the quantum theory of valence and bonding

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General definitions of the empirical notions of classical chemistry, such as valence and degree of bonding, have been given before. These definitions use the density matrix of the system and can be applied to any type of SCF-LCAO-MO wavefunction, whether ab initio or semiempirical. However, we find...

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Detalles Bibliográficos
Autores principales: Medrano, Jorge A., Bochicchio, Roberto Carlos
Publicado: 1989
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v200_nC_p463_Medrano
http://hdl.handle.net/20.500.12110/paper_01661280_v200_nC_p463_Medrano
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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