Concepedia

Second row molecular orbital calculations. Minimal and minimal + 3d basis calculations on second row diatomics

Fred J. Marsh, Mark S. Gordon

Chemical Physics Letters · 1977 · 29 citations · 20 references

DOI

Concepts

References

20

New Developments in Molecular Orbital Theory

Clemens Roothaan · Reviews of Modern Physics · 1951 · 5.5K citations

, , +14

Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems

John A. Pople, Gerald A. Segal · The Journal of Chemical Physics · 1966 · 1.9K citations

, , +15

Molecular Spectra and Molecular Structure

W. E. Garner, J E Lennard‐Jones · Nature · 1929 · 1.6K citations

, , +14

Self-Consistent Orbitals for Radicals

John A. Pople, R. K. Nesbet · The Journal of Chemical Physics · 1954 · 1.6K citations · Full text

, , +12

Approximate Self-Consistent Molecular-Orbital Theory. V. Intermediate Neglect of Differential Overlap

John A. Pople, D. L. Beveridge, Paul A. Dobosh · The Journal of Chemical Physics · 1967 · 1.5K citations

, , +13