Concepedia

Reactivity of imidazolidin-4-one derivatives of primaquine: implications for prodrug design

Paula Chambel, Rita Capela, Francisca Lopes, Jim Iley, José Morais, Luís F. Gouveia, José R. B. Gomes, Paula Gomes, Rui Moreira

Tetrahedron · 2006 · 27 citations · 29 references

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29

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

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

, , +17

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

Michael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy et al. · Journal of the American Chemical Society · 1985 · 13.1K citations

, , +10

Molden: a pre- and post-processing program for molecular and electronic structures*

Gijs Schaftenaar, J. H. Noordik · Journal of Computer-Aided Molecular Design · 2000 · 3.1K citations

, , +8