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Annealing of ~12.5 nm thick vacuum-deposited organic thin film of 5 wt% Ir(pp...
This trajectory begins from a vacuum-deposition simulation of 5 wt% Ir(ppy)2(acac):CBP on graphene that has just reached an approximate film thickness of 12.5 nm (replica 1 of... -
Annealing of ~12.5 nm thick vacuum-deposited organic thin film of 5 wt% Ir(pp...
This trajectory begins from a vacuum-deposition simulation of 5 wt% Ir(ppy)2(acac):CBP on graphene that has just reached an approximate film thickness of 12.5 nm (replica 1 of... -
Pairwise thermodynamic integration of ligand 358715 to 325830 in SPC water
Thermodynamic integration in SPC water of ligand 358715 to 325830 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325839 to 325831 in SPC water
Thermodynamic integration in SPC water of ligand 325839 to 325831 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325839 to 325829 in SPC water
Thermodynamic integration in SPC water of ligand 325839 to 325829 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325839 to 325823 in SPC water
Thermodynamic integration in SPC water of ligand 325839 to 325823 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325836 to 358715 in SPC water
Thermodynamic integration in SPC water of ligand 325836 to 358715 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325836 to 325833 in SPC water
Thermodynamic integration in SPC water of ligand 325836 to 325833 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325836 to 325824 in SPC water
Thermodynamic integration in SPC water of ligand 325836 to 325824 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325835 to 325833 in SPC water
Thermodynamic integration in SPC water of ligand 325835 to 325833 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325834 to 325824 in SPC water
Thermodynamic integration in SPC water of ligand 325834 to 325824 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325833 to 325825 in SPC water
Thermodynamic integration in SPC water of ligand 325833 to 325825 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325831 to 325836 in SPC water
Thermodynamic integration in SPC water of ligand 325831 to 325836 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325830 to 325823 in SPC water
Thermodynamic integration in SPC water of ligand 325830 to 325823 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325829 to 325836 in SPC water
Thermodynamic integration in SPC water of ligand 325829 to 325836 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325828 to 325839 in SPC water
Thermodynamic integration in SPC water of ligand 325828 to 325839 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325825 to 325820 in SPC water
Thermodynamic integration in SPC water of ligand 325825 to 325820 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325824 to 358715 in SPC water
Thermodynamic integration in SPC water of ligand 325824 to 358715 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325824 to 325823 in SPC water
Thermodynamic integration in SPC water of ligand 325824 to 325823 (atb molid) equilibration at lambda 0 simulated in GROMOS. -
Pairwise thermodynamic integration of ligand 325823 to 325834 in SPC water
Thermodynamic integration in SPC water of ligand 325823 to 325834 (atb molid) equilibration at lambda 0 simulated in GROMOS.
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