Table V.
Name | ΔE Total* | ΔE Bond | ΔE Angle | ΔE Dihedral | ΔE Vdw | ΔE H-bond | ΔE Elec |
---|---|---|---|---|---|---|---|
CMC-E100 | −24.753 | −0.858 | −1.096 | −0.558 | −25.575 | −2.154 | 5.488 |
CMC-LBG | −55.119 | −0.244 | 0.339 | −1.494 | −8.257 | −4.796 | −40.668 |
E100-LBG | −49.984 | −1.088 | −9.293 | 3.108 | −24.559 | −1.479 | −16.673 |
CMC-E100-LBG | −88.208 | −1.085 | −6.899 | 1.005 | −43.571 | −4.697 | −32.961 |
*ΔE calculated with in comparison to the energy values of the constituent molecules.