Application of Quantum Mechanical Calculations and Symmetry in Chemistry; Vibration Frequencies, Corrosion Inhibition and Prodrugs

The principles of nature are the sole foundation for ab initio quantum chemistry: Molecular modelling methods that can accurately predict structures, energetics, reactivity, and other features of molecules have been created over the last two decades. Computational chemistry does not replace experimental studies, but it does play an important role in chemists’ ability to: Many…
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September 7, 2021 0