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The calculated results show that dramatic discrepancies exist between H-abstraction from silicon sites in silanes and equivalent carbon sites in their alkane counterparts with H and CH3 attacking. The H-abstraction reactions from the primary carbon sites in silanes have generally lower barrier energies than the similar reactions in their alkane counterparts, while those in methylsilane and dimethylsilane with H attacking are the only two with higher barrier energies. Electrostatic potential mapped molecular van der Waals surfaces were
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