Research Article

Exploring the Ruthenium-Ligands Bond and Their Relative Properties at Different Computational Methods

Table 4

The RMSD of the optimized geometries obtained from other methods of computation from that obtained from MP2 using SBKJC VDZ ECP basis set.

ā€‰B3LYPCCSDPBE

Ru-C0.9631.3470.637
Ru-N1.0301.0321.035
Ru-O0.0560.0720.065
Ru-Cl1.3021.0301.268
Ru-P1.2031.2211.190
Ru-S0.2650.2660.252