Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
NIR electronic excitations of measured spectrum and TD‐PBE0 excitations of [(Cp2Ti)3HATN(Ph)6].
|
Signal |
Absorption energy [eV] |
||
|---|---|---|---|
|
|
Experiment |
TD‐PBE0 S=1 |
TD‐PBE0 S=2 |
|
0/I |
0.60 |
0.56 |
0.55 |
|
0/II |
0.95 |
0.92 |
0.93 |
|
0/IV |
1.13 |
1.04 |
1.05 |
|
0/V |
1.27 |
1.27 |
1.26 |
