Use molecular modelling software and the computational method of your choice to construct molecular potential energy curves

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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

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Physical Chemistry Thermodynamics And Kinetics

ISBN: 9781464124518

10th Edition

Authors: Peter Atkins, Julio De Paula

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Question Posted: Oct 20, 2022 02:38 AM

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Use molecular modelling software and the computational method of your choice to construct molecular potential energy curves

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Molecular potential energy R₁ Parabola Internuclear separation, R

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Physical Chemistry Thermodynamics And Kinetics

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