Concepedia

Superhalogen oxidizers capable of ionizing water molecules

Marzena Marchaj, Sylwia Freza, Olimpia Rybacka, Piotr Skurski

Chemical Physics Letters · 2013 · 35 citations · 30 references

DOI

Concepts

References

30

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

R. Krishnan, J. Stephen Binkley, Rolf Seeger et al. · The Journal of Chemical Physics · 1980 · 17.5K citations

, , +11

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, <i>Z</i>=11–18

A. D. McLean, G. S. Chandler · The Journal of Chemical Physics · 1980 · 9.7K citations

, , +13

A full coupled-cluster singles and doubles model: The inclusion of disconnected triples

George D. Purvis, Rodney J. Bartlett · The Journal of Chemical Physics · 1982 · 6.5K citations

, , +17

Quadratic configuration interaction. A general technique for determining electron correlation energies

John A. Pople, Martin Head‐Gordon, Krishnan Raghavachari · The Journal of Chemical Physics · 1987 · 4.5K citations

, , +17

Atomic charges derived from semiempirical methods

Brent Besler, Kenneth M. Merz, Peter A. Kollman · Journal of Computational Chemistry · 1990 · 3.3K citations

, , +12