snickers1
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Can anyone explain to me how you calculate bond length?
Thanks!
Thanks!
Bond length is calculated by solving the molecular Schrödinger equation, followed by calculating the derivatives with respect to nuclear coordinates to determine forces. The process involves minimizing these forces using methods such as steepest-descent until the nuclei reach equilibrium bond distance. For experimental determination, spectroscopic methods, particularly X-ray crystallography, are utilized to obtain bond length data.
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