Table 3. Calculated Values of ETS-Energy Decomposition Analysis Performed on the Considered Structures (All Values in kcal/mol per Ligand).
ΔEorb | ΔEelstat | ΔEPauli | ΔEdisp | ΔEbond | |
---|---|---|---|---|---|
ΔEster | |||||
ETS-1 | |||||
Cisplatin | –47.97 | –107.22 | +117.65 | –1.97 | –39.51 |
+10.43 | |||||
trans-2 | –53.11 | –102.43 | +117.96 | –6.74 | –44.31 |
+15.53 | |||||
cis-2 | –54.48 | –108.89 | +124.92 | –6.88 | –45.33 |
+16.03 | |||||
ETS-2 | |||||
Cisplatin | –79.22 | –269.88 | +85.72 | –1.31 | –264.68 |
–184.16 | |||||
trans-2 | –112.10 | –217.29 | +106.00 | –2.39 | –225.78 |
–111.29 | |||||
cis-2 | –113.03 | –221.82 | +109.00 | –2.44 | –228.29 |
–112.82 |