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A method is given for constructing the best hybrid orbitals for a molecule M—(X1···Xk) from a set of n atomic orbitals of M, based on the principle of maximum overlap. To illustrate the theory, hybrid orbitals for ClF3 are constructed from the chlorine 3s, 3p, and 3d atomic orbitals.
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J.N. Murrell (1960) studied this question.
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