Concepedia

Ab initio calculation of anharmonic constants for a transition state, with application to semiclassical transition state tunneling probabilities

William H. Miller, Rigoberto Hernandez, Nicholas C. Handy, Dylan Jayatilaka, Andrew Willetts

Chemical Physics Letters · 1990 · 253 citations · 17 references

DOI

Concepts

References

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

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

Reaction path Hamiltonian for polyatomic molecules

William H. Miller, Nicholas C. Handy, John E. Adams · The Journal of Chemical Physics · 1980 · 1.4K citations · Full text

, , +17

On the Analytical Mechanics of Chemical Reactions. Quantum Mechanics of Linear Collisions

R. A. Marcus · The Journal of Chemical Physics · 1966 · 541 citations

, , +17