Searched refs:HOMO (Results 251 – 275 of 3484) sorted by relevance
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61 HOMO is 5 A1 = -0.133109116 HOMO is 5 A1 = -0.131784
67 HOMO is 2 B1u = -0.252279113 HOMO is 2 B1u = -0.252279
59 HOMO is 1 B1u = -0.427823112 HOMO is 1 B1u = -0.419300
85 HOMO is 3 A1 = -0.246498120 HOMO is 3 A1 = -0.328457
57 HOMO is 1 Ag = -0.578554108 HOMO is 1 Ag = -0.595933
57 HOMO is 1 Ag = -0.578554108 HOMO is 1 Ag = -0.594921
83 HOMO is 5 A = -0.386942118 HOMO is 5 A = -0.497602
54 HOMO is 1 B1 = 0.003456107 HOMO is 1 B1 = -0.110722
54 HOMO is 1 B1 = 0.003456107 HOMO is 1 B1 = -0.121904
61 HOMO is 5 A1 = -0.133109114 HOMO is 5 A1 = -0.221444
54 HOMO is 1 B1 = 0.003456110 HOMO is 1 B1 = -0.108610
85 HOMO is 3 A1 = -0.246498120 HOMO is 3 A1 = -0.339382
85 HOMO is 3 A1 = -0.246498114 HOMO is 3 A1 = -0.227694
59 HOMO is 1 B1u = -0.427823110 HOMO is 1 B1u = -0.430886
57 HOMO is 1 Ag = -0.578554110 HOMO is 1 Ag = -0.595078
57 HOMO is 1 Ag = -0.578554110 HOMO is 1 Ag = -0.596689
57 HOMO is 1 Ag = -0.578554110 HOMO is 1 Ag = -0.595682
57 HOMO is 1 Ag = -0.578554112 HOMO is 1 Ag = -0.594914
57 HOMO is 1 Ag = -0.578554112 HOMO is 1 Ag = -0.592790
57 HOMO is 1 Ag = -0.578554112 HOMO is 1 Ag = -0.594663
57 HOMO is 1 Ag = -0.578554112 HOMO is 1 Ag = -0.594913
63 HOMO is 2 A1 = -0.301199118 HOMO is 2 A1 = -0.301882