The complexation reaction of oxotitanium(IV) tetraphenylporphyrin with benzoyl peroxide: a DFT study
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DOI: 10.1007/s00214-019-2441-2
Abstract: Quantum chemical calculations based on density functional theory were used to analyze the potentially possible reactions between oxotitanium(IV) tetraphenylporphyrin ((TPP)Ti = O) and benzoyl peroxide (BP). Wavefunction analyses were performed, and electrostatic potential maps were calculated for… read more here.
Keywords: complexation reaction; oxotitanium tetraphenylporphyrin; benzoyl peroxide;