Concepedia

Bond functions for ab initio calculations on polyatomic molecules. Molecules containing C, N, O and H

Daniel Neisius, G. Verhaegen

Chemical Physics Letters · 1981 · 27 citations · 6 references

DOI

Concepts

References

6

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

Warren J. Hehre, R. Ditchfield, John A. Pople · The Journal of Chemical Physics · 1972 · 15.8K citations

, , +16

The influence of polarization functions on molecular orbital hydrogenation energies

P. C. Hariharan, John A. Pople · Theoretical Chemistry Accounts · 1973 · 15.7K citations

, , +14

The effect of d-functions on molecular orbital energies for hydrocarbons

P. C. Hariharan, John A. Pople · Chemical Physics Letters · 1972 · 1.1K citations

, , +12

Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole moments

John A. Pople, Mark S. Gordon · Journal of the American Chemical Society · 1967 · 1K citations

, , +11

Bond functions for AB initio calculations on polyatomic molecules hydrocarbons

Daniel Neisius, G. Verhaegen · Chemical Physics Letters · 1979 · 39 citations

, , +15