Concepedia

A density functional theory study of the mechanisms of oxidation of ethylene by technetium oxo complexes

Albert Aniagyei, Richard Tia, Evans Adei

Computational and Theoretical Chemistry · 2013 · 17 citations · 27 references

DOI

Concepts

References

27

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 15.5K citations

, , +15

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 13.7K citations

, , +16

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for main group elements Na to Bi

Willard R. Wadt, P. Jeffrey Hay · The Journal of Chemical Physics · 1985 · 10K citations

, , +17

Validation of the general purpose tripos 5.2 force field

Matthew Clark, Richard D. Cramer, N. Van Opdenbosch · Journal of Computational Chemistry · 1989 · 2.8K citations

, , +17

Advanced organic chemistry

Colin Eaborn · Journal of Organometallic Chemistry · 1985 · 1.4K citations