9 3.38 0.1219 47% H-6 (Se 4p) L — 40% H-7 (Se 4p) L — State Energy Oscillator System Ligands Excited-State Composition Index (eV) Strength -- 3 2.72 0.0637 96% H-2 (Se 4p) L (Cd 5s, Se — 3 5s) 10 3.02 0.1042 90% H-9 (Se 4p) L — 5 2.90 0.0865 96% H-2 (Se 4p) L (Cd 5s, Cys — Se4p) 10 3.25 0.2272 92% H-9 (Se 4p) L — MPA 5 2.91 0.0846 97% H-2 (Se 4p) L (Cd 5s, Se — 5s) 11 3.26 0.2162 92% H-9 (Se 4p) L — SHCH(NH2)COOH 5 2.90 0.0808 95% H-2 (Se 4p) L (Cd 5s, Se — 5s) 11 3.30 0.2276 92% H-9 (Se 4p) L —
9 3.38 0.1219 47% H-6 (Se 4p) — L 40% H-7 (Se 4p) — L System Ligands State Index Energy (eV) Oscillator Strength Excited-State Composition -- 3 2.72 0.0637 96% H-2 (Se 4p) — L (Cd 5s, Se 5s) 10 3.02 0.1042 90% H-9 (Se 4p) — L Cys 5 2.90 0.0865 96% H-2 (Se 4p) — L (Cd 5s, Se4p) 10 3.25 0.2272 92% H-9 (Se 4p) — L MPA 5 2.91 0.0846 97% H-2 (Se 4p) — L (Cd 5s, Se 5s) 11 3.26 0.2162 92% H-9 (Se 4p) — L SHCH(NH2)COOH 5 2.90 0.0808 95% H-2 (Se 4p) — L (Cd 5s, Se 5s) 11 3.30 0.2276 92% H-9 (Se 4p) — L 3
shanshanwu_thesis.docx