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2 unusual facts about Molecular orbital


Molecular orbital

If the molecule has some symmetry, the degenerate atomic orbitals (with the same atomic energy) are grouped in linear combinations (called symmetry-adapted atomic orbitals (SO)), which belong to the representation of the symmetry group, so the wave functions that describe the group are known as symmetry-adapted linear combinations (SALC).

Within a particular representation, the symmetry-adapted atomic orbitals mix more if their atomic energy levels are closer.


John Pople

He made major contributions to the theory of approximate molecular orbital (MO) calculations, starting with one identical to the one developed by Rudolph Pariser and Robert G. Parr on pi electron systems, and now called the Pariser-Parr-Pople method.

Robert Parr

Working with DuPont chemist Rudolph Pariser, Parr developed a method of computing approximate molecular orbitals for pi electron systems, published in 1953.


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