Extension of the quantum theory of valence and bonding to molecular and crystal systems with translation symmetry

We have shown in previous publications that a general theory of charge-density partitions can be proposed for molecules from which rigorous definitions of atomic valence, atomic charge, and diatomic degree of bonding can be derived. We have now extended this theory to the case of periodic systems su...

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Autores principales: Bochicchio, R.C., Reale, H.F., Medrano, J.A.
Formato: JOUR
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_01631829_v40_n10_p7186_Bochicchio
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