Concepedia

Ab initio calculation of the force field of ethylene

Péter Pulay, Wilfried Meyer

Journal of Molecular Spectroscopy · 1971 · 124 citations · 13 references

DOI

Concepts

References

13

Gaussian-Type Functions for Polyatomic Systems. I

Sigeru Huzinaga · The Journal of Chemical Physics · 1965 · 5K citations

, , +12

Gaussian-Type Functions for Polyatomic Systems. II

Sigeru Huzinaga, Yoshiko Sakai · The Journal of Chemical Physics · 1969 · 3.2K citations

, , +15

<i>Ab initio</i>calculation of force constants and equilibrium geometries in polyatomic molecules

Péter Pulay · Molecular Physics · 1969 · 2.4K citations

, , +14

Force Constants and Dipole-Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. I

Joseph Gerratt, I.M. Mills · The Journal of Chemical Physics · 1968 · 647 citations

, , +11

<i>Ab initio</i>calculation of force constants and equilibrium geometries in polyatomic molecules

Péter Pulay · Molecular Physics · 1970 · 208 citations

, , +14