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A QM/MM study on ethene and benzene oxidation using silica-supported chromium trioxide

Indu Kumari1, Navjot Kaur1, Shuchi Gupta2

  • 1Theoretical and Computational Chemistry Group, Department of Chemistry, Centre of Advanced Studies in Chemistry, Panjab University, Chandigarh, 160014, India.

Journal of Molecular Modeling
|January 6, 2019
PubMed

Keywords:
A QM/MM modelC2H4C6H6CrO3/SiO2 systemC–H/C=C bond activation

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