Concepedia

Ab initio calculation of the equilibrium geometry and the 13C, 17O, 23Na and 7Li NMR shielding tensors of the systems Na+/CO and Li+/CO

Th. Weller, W. Meiler, Harry Pfeifer, Hans Lischka, Robert A. Holler

Chemical Physics Letters · 1983 · 12 citations · 12 references

DOI

Concepts

References

12

CHEMICAL SHIFTS IN THE NUCLEAR MAGNETIC RESONANCE SPECTRA OF MOLECULES CONTAINING POLAR GROUPS

A. D. Buckingham · Canadian Journal of Chemistry · 1960 · 727 citations

, , +14

Numerical integration using rys polynomials

Harry F. King, Michel Dupuis · Journal of Computational Physics · 1976 · 246 citations

, , +10

Molecular symmetry. II. Gradient of electronic energy with respect to nuclear coordinates

Michel Dupuis, Harry F. King · The Journal of Chemical Physics · 1978 · 236 citations

, , +14

Contribution of atomic orbital integrals to symmetry orbital integrals

Russell M. Pitzer · The Journal of Chemical Physics · 1973 · 147 citations

, , +11

Theory of linear electric field shifts in carbon-13 nuclear magnetic resonance

John G. Batchelor · Journal of the American Chemical Society · 1975 · 145 citations

, , +6