Concepedia

Ab initio calculation of electronic circular dichroism fortrans-cyclooctene using London atomic orbitals

Keld L. Bak, Aage E. Hansen, Kenneth Ruud, Trygve Helgaker, Jeppe Olsen, Poul J�rgensen

Theoretical Chemistry Accounts · 1995 · 79 citations · 25 references

DOI

Concepts

References

25

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Thom H. Dunning · The Journal of Chemical Physics · 1989 · 31.7K citations

, , +17

Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

Rick A. Kendall, Thom H. Dunning, Robert J. Harrison · The Journal of Chemical Physics · 1992 · 15.5K citations

, , +17

Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon

David E. Woon, Thom H. Dunning · The Journal of Chemical Physics · 1993 · 9.5K citations

, , +14

Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations

Krzysztof Woliński, James F. Hinton, Péter Pulay · Journal of the American Chemical Society · 1990 · 6.8K citations

, , +5

Molecular Orbital Theory of Magnetic Shielding and Magnetic Susceptibility

R. Ditchfield · The Journal of Chemical Physics · 1972 · 1.2K citations

, , +13