Composition Energy Oscillator System (eV) Strength Percentage of Involved Orbitals Contribution Bare Cd6Se6 33% H L+1 — 3.82 0.0355 42% H L+3 (Cd 5s, Se 4p, 5s) — 34% H-3 (Se 4p) L+2 — 4.12 0.0254 50% H-4 L+2 — 20% H-3 L+3 — Cys 2.84 0.0635 84% H-2 L (Cd 5s, Se4p) — 3.37 0.1294 55% H-7 (Se 4p) L — 3.37 0.1241 55% H-8 (Se 4p) L — 3.94 0.0372 33% H-10 (N 2p) L — 24% H-1 (Se 4p) L+3 (Cd 5s, 4p, Se 4p, 5s) — 17% H (Se 4p) L+2 (Cd 5s, 4p, Se 4p, 5s) — 4.09 0.0258 36% H-3 (Se 4p) L+1 (Cd 5s) —
System Energy (eV) Oscillator Strength Composition Percentage of Contribution Involved Orbitals Bare Cd6Se6 33% H — L+1 3.82 0.0355 42% H — L+3 (Cd 5s, Se 4p, 5s) 34% H-3 (Se 4p) — L+2 4.12 0.0254 50% H-4 — L+2 20% H-3 — L+3 Cys 2.84 0.0635 84% H-2 — L (Cd 5s, Se4p) 3.37 0.1294 55% H-7 (Se 4p) — L 3.37 0.1241 55% H-8 (Se 4p) — L 3.94 0.0372 33% H-10 (N 2p) — L 24% H-1 (Se 4p) — L+3 (Cd 5s, 4p, Se 4p, 5s) 17% H (Se 4p) — L+2 (Cd 5s, 4p, Se 4p, 5s) 4.09 0.0258 36% H-3 (Se 4p) — L+1 (Cd 5s)
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