Concepedia

Ideal-gas properties of new refrigerants from quantum mechanical ab initio calculations

K. Lucas, Uwe Delfs, Martin Speis

International Journal of Thermophysics · 1993 · 13 citations · 27 references

DOI

Concepts

References

27

Ab initio molecular orbital theory

Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations

, , +5

New Developments in Molecular Orbital Theory

Clemens Roothaan · Reviews of Modern Physics · 1951 · 5.5K citations

, , +14

Ab initio molecular orbital theory

J.N. Murrell · Journal of Organometallic Chemistry · 1986 · 2.2K citations

, , +5

The molecular orbital theory of chemical valency VIII. A method of calculating ionization potentials

G. G. Hall · Proceedings of the Royal Society of London A Mathematical and Physical Sciences · 1951 · 581 citations

, , +12

Torsional frequencies in the far infrared—I

Spectrochimica Acta · 1961 · 186 citations

, , +11