Concepedia

A CCSD (T) investigation of carbonyl oxide and dioxirane. Equilibrium geometries, dipole moments, infrared spectra, heats of formation and isomerization energies

Dieter Cremer, Elfi Kraka, John F. Stanton, Rodney J. Bartlett

Chemical Physics Letters · 1993 · 159 citations · 52 references

DOI

Concepts

References

52

A fifth-order perturbation comparison of electron correlation theories

Krishnan Raghavachari, Gary W. Trucks, John A. Pople et al. · Chemical Physics Letters · 1989 · 8.5K citations

, , +12

A full coupled-cluster singles and doubles model: The inclusion of disconnected triples

George D. Purvis, Rodney J. Bartlett · The Journal of Chemical Physics · 1982 · 6.5K citations

, , +17

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1970 · 5K citations

, , +15

Quadratic configuration interaction. A general technique for determining electron correlation energies

John A. Pople, Martin Head‐Gordon, Krishnan Raghavachari · The Journal of Chemical Physics · 1987 · 4.5K citations

, , +17

Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1971 · 2.2K citations

, , +16