Concepedia

Vibrational frequencies from anharmonic ab initio/empirical potential energy functions. III. Stretching vibrations of hydrogen cyanide and acetylenes

Peter Botschwina

Chemical Physics · 1982 · 96 citations · 68 references

DOI

Concepts

References

68

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

Simplification of the molecular vibration-rotation hamiltonian

J. K. G. Watson · Molecular Physics · 1968 · 1.1K citations

, , +17

PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane

Wilfried Meyer · The Journal of Chemical Physics · 1973 · 1K citations

, , +17