Concepedia

The vibrational and NMR spectra, conformations and ab initio calculations of aminomethylene, propanedinitrile and itsN-methyl derivatives

A. Gatial, Štěpán Sklenák, Viktor Milata, Stanislav Biskupič, D. Scheller, Jana Jurašková

Structural Chemistry · 1996 · 23 citations · 26 references

DOI

Concepts

References

26

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

Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene

Péter Pulay, Géza Fogarasi, Gábor Pongor et al. · Journal of the American Chemical Society · 1983 · 1.6K citations

, , +17

A guide to the complete interpretation of infrared spectra of organic structures

Choice Reviews Online · 1995 · 1.3K citations

, , +15