Isomers of Pb2O4



Coalescence Kick + DFT/PBE/rL1


On figure(s) below click on the level title to download xyz file ==>
Click on energy level to view 3D structure in browser (run JSmol) ==>

78.60 78.60 90.71 90.71 0.00 0.00 3.17 3.17 8.51 8.51 8.69 8.69 11.30 11.30 22.47 22.47 24.67 24.67 28.45 28.45 32.08 32.08 38.74 38.74 44.87 44.87 45.86 45.86 47.33 47.33 48.26 48.26 51.44 51.44 54.24 54.24 56.22 56.22 56.84 56.84 57.02 57.02 58.44 58.44 58.59 58.59 59.36 59.36 61.06 61.06 61.06 61.06 63.81 63.81 65.46 65.46 65.48 65.48 68.41 68.41 71.93 71.93 76.04 76.04 83.19 83.19

Isomers of Pb5O5

cf. doi:10.1016/j.comptc.2012.01.001

Coalescence Kick + DFT/PBE/rL1


On figure(s) below click on the level title to download xyz file ==>
Click on energy level to view 3D structure in browser (run JSmol) ==>

0.00 0.00 0.91 0.91 30.52 30.52 31.62 31.62 32.12 32.12 33.32 33.32 34.29 34.29 35.17 35.17 40.60 40.60 41.24 41.24 43.10 43.10 45.17 45.17 49.52 49.52 55.14 55.14 58.07 58.07 59.36 59.36 60.19 60.19 61.98 61.98 62.80 62.80 63.58 63.58 64.86 64.86 65.65 65.65 65.82 65.82 67.15 67.15 67.25 67.25 67.56 67.56 68.19 68.19 68.60 68.60 69.08 69.08 69.47 69.47 69.54 69.54 69.78 69.78 69.95 69.95 69.96 69.96 70.53 70.53 70.95 70.95 72.88 72.88 72.95 72.95 73.15 73.15 73.24 73.24 73.42 73.42 73.92 73.92 74.14 74.14 74.23 74.23 74.27 74.27 75.03 75.03 75.22 75.22 75.73 75.73 76.17 76.17 76.49 76.49 76.85 76.85 77.27 77.27 77.34 77.34 77.42 77.42 77.75 77.75 77.79 77.79 77.84 77.84 78.43 78.43 79.65 79.65 80.44 80.44 80.59 80.59 81.28 81.28 81.51 81.51 81.76 81.76 82.12 82.12 83.18 83.18 83.40 83.40 83.92 83.92 83.99 83.99 84.03 84.03 84.05 84.05 84.43 84.43 85.27 85.27 85.28 85.28 86.55 86.55 87.38 87.38 87.42 87.42 88.06 88.06 88.44 88.44 88.77 88.77 89.79 89.79 89.84 89.84 90.49 90.49 90.56 90.56 91.13 91.13 92.40 92.40 92.54 92.54 92.59 92.59 94.15 94.15 94.91 94.91 94.93 94.93 95.26 95.26 95.46 95.46 96.68 96.68 96.98 96.98 97.16 97.16 97.51 97.51 98.00 98.00 98.00 98.00 98.06 98.06 98.33 98.33 98.91 98.91 99.13 99.13 99.58 99.58 99.71 99.71 99.87 99.87 99.91 99.91 100.00 100.00 100.25 100.25 100.60 100.60 100.77 100.77 101.01 101.01 101.74 101.74 101.98 101.98 102.92 102.92 104.25 104.25 104.55 104.55 104.90 104.90 105.83 105.83 105.89 105.89 105.98 105.98 106.63 106.63 107.34 107.34 108.76 108.76 108.91 108.91 114.67 114.67 114.91 114.91 115.98 115.98 119.91 119.91 120.42 120.42 120.60 120.60 120.76 120.76 123.05 123.05 123.22 123.22 123.61 123.61 124.01 124.01 124.40 124.40 124.91 124.91 125.33 125.33 125.57 125.57 126.50 126.50 126.85 126.85 128.11 128.11 128.87 128.87 134.23 134.23 137.34 137.34 138.35 138.35 138.60 138.60 139.02 139.02 139.49 139.49 139.59 139.59 141.22 141.22 141.63 141.63 141.76 141.76 142.74 142.74 143.05 143.05 143.19 143.19 143.27 143.27 144.03 144.03 144.92 144.92 145.70 145.70 145.78 145.78 145.94 145.94 146.48 146.48 146.49 146.49 146.81 146.81 146.88 146.88 147.06 147.06 147.32 147.32 147.65 147.65 147.74 147.74 147.94 147.94 149.81 149.81 150.13 150.13 151.25 151.25 152.29 152.29 152.49 152.49 153.69 153.69 153.97 153.97 154.02 154.02 154.66 154.66 154.87 154.87 154.97 154.97 155.16 155.16 155.22 155.22 155.93 155.93 156.52 156.52 156.76 156.76 156.96 156.96 157.20 157.20 157.38 157.38 158.53 158.53 158.75 158.75 159.43 159.43 159.69 159.69 160.56 160.56 161.16 161.16 161.25 161.25 161.80 161.80 165.20 165.20 165.29 165.29 165.45 165.45 165.85 165.85 166.37 166.37 168.78 168.78 170.10 170.10 171.55 171.55 171.75 171.75 173.26 173.26 174.51 174.51 175.16 175.16 176.11 176.11 176.69 176.69 179.34 179.34 179.47 179.47 181.83 181.83 182.12 182.12 186.55 186.55 189.77 189.77 189.84 189.84 190.77 190.77 193.96 193.96 196.12 196.12 198.06 198.06 199.03 199.03 200.91 200.91 208.22 208.22 208.80 208.80 243.37 243.37 243.50 243.50

09.10.2019