Concepedia

Comparison of experimental and calculated 1H NMR chemical shifts of geometric photoisomers of azo dyes

Katrina M. Tait, John A. Parkinson, Anita C. Jones, Warren J. Ebenezer, Simon Bates

Chemical Physics Letters · 2003 · 19 citations · 18 references

DOI

Concepts

References

18

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr

B. Miehlich, Andreas Savin, Hermann Stoll · Chemical Physics Letters · 1989 · 7.3K citations

, , +12

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 properties in solution described with a continuum solvation model

Jacopo Tomasi, Roberto Cammi, Benedetta Mennucci et al. · Physical Chemistry Chemical Physics · 2002 · 302 citations

, , +17