Question: Use molecular modelling software and the computational method of your choice to construct molecular potential energy curves like the one shown in Fig. 12D.1. Consider
Use molecular modelling software and the computational method of your choice to construct molecular potential energy curves like the one shown in Fig. 12D.1. Consider the hydrogen halides (HF, HCl, HBr, and HI):
(a) Plot the calculated energy of each molecule against the bond length,
(b) Identify the order of force constants of the H–Hal bonds.
Data in Fig. 12D.1
Molecular potential energy R Parabola Internuclear separation, R
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