Although the symmetry breaking cannot be seen in the IFCCt f p∆rqu, it can be seen in the IFCCt f p∆θqu for the nitrogen in range of angles between ∆θ " (50, ´50) (Figure 3a'). On the other hand, the SB has not been observed for the ∆ p∆θq = ∆θB...
[2,13].The ground state of the BN(0)B has been examined via the developed reduced multireference coupled cluster method with singles and doubles that is perturbatively corrected for triples [RMR CCSD (T)] using the correlation consistent basis sets (cc-pVDZ, cc-pVTZ and cc-pVQZ) by J...