Citation | 10.1021/acs.jpca.8b10373 |
---|---|
Type | Mass-selected threshold photoelectron spectrum |
Further references | iPEPICO endstation, VUV beamline, SLS |
T / K | 300 |
Source | effusive |
Resolution / meV | 3 |
Flux normalization | no |
Comments | 120 V/cm extraction field |
Date & facility | 2014-05-04, VUV/SLS |
Date entered | 2022-11-29 |
Citation | 10.1021/acs.jpca.8b10373 |
---|---|
Type | Franck-Condon simulation |
Further references | Gaussian16 |
T / K | 300 |
Level of theory | B3LYP/6-311++G(d,p) |
Convolution FWHM / meV | 5 |
0-0 transition / eV | 10.634 |
Comments | Ground state calculation converges to excited state Shifted by -0.013 eV to match experiment |
Date & facility | 2018, VUV/SLS |
Date entered | 2022-11-29 |
Citation | 10.1021/acs.jpca.8b10373 |
---|---|
Type | Franck-Condon simulation |
Further references | Gaussian16 |
T / K | 300 |
Level of theory | B3LYP/6-311++G(d,p) |
Convolution FWHM / meV | 5 |
0-0 transition / eV | 10.228 |
Comments | Shifted by 0.071 eV to match experiment |
Date & facility | 2018, VUV/SLS |
Date entered | 2022-11-29 |