Luis Seijo

1. A b i n i t i o model potential study of the equilibrium geometry of alkaline earth dihalides: MX2 (M=Mg, Ca, Sr, Ba; X=F, Cl, Br, I)
   1991/03/01 by Luis Seijo, Zoila Barandiarán, Sigeru Huzinaga · 3 citations
   Chemistry · Materials Science · #Ab initio #Alkali metal #Alkaline earth metal #Atomic orbital #Atomic physics #Barium #Basis set #Bent molecular geometry #Bond length #Boron and Carbon Nanomaterials Research #Chemistry #Computational chemistry #Density functional theory #Geometry #Ground state #Inorganic Chemistry and Materials #Inorganic chemistry #MXene and MAX Phase Materials #Molecular geometry #Molecule #Physics #Quantum mechanics #Valence (chemistry)