https://www.selleckchem.com/pr....oducts/imidazole-ket
The geometric parameters of all complexes were carried out by using the DFT/B3PW91 method with a 6-31 + G (d,p) basis set. These structures are optimized to predict the important properties of a theme. MEP with contour map has been performed to obtain the electronic properties. Frontier molecular orbital HOMO-LUMO orbital diagram has been obtained for different energy levels and their band gap energies have been computed. Nuclear receptor binding SET domain protein 1, NSD1, encodes a histone methyltransferase H3K36. NSD
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