Concepedia

Synthesis, antioxidant properties, biological activity and molecular modelling of a series of chalcogen analogues of the 5-lipoxygenase inhibitor DuP 654

Lars Engman, David L. Stern, Håkan Frisell, Kerstin Vessman, Mats Berglund, Bengt Ek, Carl‐Magnus Andersson

Bioorganic & Medicinal Chemistry · 1995 · 166 citations · 29 references

DOI

Concepts

References

29

Ab initio molecular orbital theory

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

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Optimization of parameters for semiempirical methods I. Method

James J. P. Stewart · Journal of Computational Chemistry · 1989 · 7.6K citations

, , +4

Ab initio molecular orbital theory

Journal of Molecular Structure THEOCHEM · 1987 · 4.5K citations

, , +5

Molecular mechanics. The MM3 force field for hydrocarbons. 1

Norman L. Allinger, Y. Yuh, Jenn Huei Lii · Journal of the American Chemical Society · 1989 · 2.8K citations

, , +14

Optimization of parameters for semiempirical methods. III Extension of PM3 to Be, Mg, Zn, Ga, Ge, As, Se, Cd, In, Sn, Sb, Te, Hg, Tl, Pb, and Bi

James J. P. Stewart · Journal of Computational Chemistry · 1991 · 649 citations · Full text

, , +6