Comparative borazarobenzenes calculations following different methods

Abstract:

Borazarobenzenes are studied with different approaches, some treating only π electrons and others including all valence electrons. The importance of the total net electronic density for interpreting the chemical behaviour of the molecules is stressed. All methods agree in assigning fairly high values to dipole moments. Disagreeing conclusions about other properties in the different methods are analyzed. © 1969 Springer-Verlag.

Año de publicación:

1969

Keywords:

Fuente:

scopus