Density Functional Theory Investigation of Polycyclical Peroxide Stability.

Polycyclic peroxide compounds have been of interest for their antimalarial activity. The synthesis of stable peroxide compounds can be challenging, thus making preliminary computational determination of the stability of promising compounds advisable. Density functional theory is used to gauge the st...

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Publicado en:	Journal of the Utah Academy of Sciences, Arts & Letters Vol. 93; pp. 293 - 307
Autores principales:	Simon, Charles Joseph, Davies, Don R., Berghout, H. Laine
Formato:	Artículo
Publicado:	Utah Academy of Sciences, Arts & Letters 2016
Materias:	Peroxide synthesis Antimalarials Density functional theory Hydrogen bonding Biochemical mechanism of action
Acceso en línea:	Ver este registro en EBSCOhost