Searched refs:HOMO (Results 376 – 400 of 3484) sorted by relevance
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59 HOMO is 1 B1u = -0.427823114 HOMO is 1 B1u = -0.450062
59 HOMO is 1 B1u = -0.427823116 HOMO is 1 B1u = -0.449262
59 HOMO is 1 B1u = -0.427823116 HOMO is 1 B1u = -0.451927
87 HOMO is 3 A1 = -0.315665126 HOMO is 3 A1 = -0.392122
61 HOMO is 1 B1 = -0.462377124 HOMO is 1 B2 = -0.629393
61 HOMO is 1 B1 = -0.462377122 HOMO is 1 B1 = -0.624330
61 HOMO is 1 B1 = -0.462377122 HOMO is 1 B1 = -0.619651
61 HOMO is 1 B1 = -0.462377124 HOMO is 1 B1 = -0.639664
61 HOMO is 1 B1 = -0.462377124 HOMO is 1 B2 = -0.635073
61 HOMO is 1 B1 = -0.462377124 HOMO is 1 B2 = -0.642586
63 HOMO is 2 A1 = -0.301199124 HOMO is 2 A1 = -0.308857
63 HOMO is 2 A1 = -0.301199126 HOMO is 2 A1 = -0.311467
49 HOMO is 1 B1 = 0.009164139 HOMO is 1 B1 = 0.191470
58 HOMO is 1 B1 = 0.003112104 HOMO is 1 B1 = 0.003112
67 HOMO is 4 A' = -0.343041105 HOMO is 4 A' = -0.343041
61 HOMO is 5 A1 = -0.133109122 HOMO is 5 A1 = -0.285257
61 HOMO is 5 A1 = -0.133109124 HOMO is 5 A1 = -0.284275
61 HOMO is 5 A1 = -0.133109124 HOMO is 5 A1 = -0.284578
61 HOMO is 5 A1 = -0.133109122 HOMO is 5 A1 = -0.283285
61 HOMO is 5 A1 = -0.133109124 HOMO is 5 A1 = -0.286299
61 HOMO is 5 A1 = -0.133109124 HOMO is 5 A1 = -0.288986
61 HOMO is 5 A1 = -0.133109124 HOMO is 5 A1 = -0.288756
63 HOMO is 2 B2 = -0.277644126 HOMO is 2 B2 = -0.383489
63 HOMO is 2 B2 = -0.277644126 HOMO is 2 B2 = -0.383443