Concepedia

Reactive oxygen sites at MoO3 surfaces: ab initio cluster model studies

Artur Michalak, K. Hermann, M. Witko

Surface Science · 1996 · 51 citations · 10 references

DOI

Concepts

References

10

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

S. H. Vosko, L. Wilk, Marwan Nusair · Canadian Journal of Physics · 1980 · 20.7K citations · Full text

, , +15

Charge, bond order and valence in the AB initio SCF theory

I. Mayer · Chemical Physics Letters · 1983 · 2.2K citations

, , +14

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies

Robert S. Mulliken · The Journal of Chemical Physics · 1955 · 2K citations

, , +12

Electronic Population Analysis on LCAO-MO Molecular Wave Functions. IV. Bonding and Antibonding in LCAO and Valence-Bond Theories

Robert S. Mulliken · The Journal of Chemical Physics · 1955 · 922 citations

, , +13

Molecular SCF Calculations for the Ground State of Some Three-Membered Ring Molecules: (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, and N2CH2

Rosanna Bonaccorsi, Eolo Scrocco, Jacopo Tomasi · The Journal of Chemical Physics · 1970 · 394 citations

, , +17