The structural, spectral, frontier molecular orbital and thermodynamic analysis of 2-hydroxy 2-methyl propiophenone by MP2 and B3LYP methods

Sidra Ghafoor,Asim Mansha,Sadia Asim,Muhammad Usman,Ameer Fawad Zahoor,Hafiz Saqib Ali

The structural, spectral, frontier molecular orbital and thermodynamic analysis of 2-hydroxy 2-methyl propiophenone by MP2 and B3LYP methods

2020

Sidra Ghafoor
Asim Mansha
Sadia Asim
Muhammad Usman
Ameer Fawad Zahoor
Hafiz Saqib Ali

In the present work, we have studied the 2-hydroxy 2-methyl propiophenone (2H2MPP) theoretically as well as experimentally. The optimized molecular structure has been obtained by the density functi...

Keywords:

Propiophenone
Computational chemistry
Chemistry
Molecular orbital

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