Concepedia

Structural properties of some monosubstituted cyclobutanes, C4H7X, determined by ab initio calculation II. X = OH, NH2 and CH3

Torgeir Jonvik, James E. Boggs

Journal of Molecular Structure THEOCHEM · 1983 · 42 citations · 20 references

DOI

Concepts

References

20

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

Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives

Péter Pulay, Géza Fogarasi, Frank Pang et al. · Journal of the American Chemical Society · 1979 · 2.1K citations

, , +11

An efficient ab initio gradient program

P�ter Pulay · Theoretical Chemistry Accounts · 1979 · 451 citations

, , +7