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Geometric optimization, potential energy

Fig. 21 HF/6-31 + G -optimized structures and main geometrical parameters of the stable (T-and T/ -type complexes located on the potential energy surface (PES) of protonated sec-butyl benzene (bond lengths in Angstrpms angles in degrees (in itabc)). Fig. 21 HF/6-31 + G -optimized structures and main geometrical parameters of the stable (T-and T/ -type complexes located on the potential energy surface (PES) of protonated sec-butyl benzene (bond lengths in Angstrpms angles in degrees (in itabc)).
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Energy optimization

Geometric optimization

Geometric optimization, potential energy surfaces

Potential energy optimization

Potential-optimized

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