Browse Collection: ybtrensal
ybtrensal
https://iochem-bd.bsc.es/browse/handle/100/195071
2026-04-07T23:06:29Z
2026-04-07T23:06:29Z
ybtrensal_optimisation
Kragskow, Jon
https://iochem-bd.bsc.es/browse/handle/100/195075
2020-11-28T10:08:31Z
2020-11-28T11:06:24Z
Title: ybtrensal_optimisation
Authors: Kragskow, Jon
Description: DFT PBE0+D3 optimisation + frequency calculation of yb(trensal) starting from x-ray crystallographic structure
2020-11-28T11:06:24Z
ybtrensal_opt_casscf
Kragskow, Jon
https://iochem-bd.bsc.es/browse/handle/100/195074
2020-11-28T10:08:31Z
2020-11-28T11:06:21Z
Title: ybtrensal_opt_casscf
Authors: Kragskow, Jon
Description: CASSCF+RASSI-SO calculation of optimised structure of ybtrensal
2020-11-28T11:06:21Z
ybtrensal_xrd_xmscaspt2
Kragskow, Jon
https://iochem-bd.bsc.es/browse/handle/100/195073
2020-11-28T10:08:31Z
2020-11-28T11:06:16Z
Title: ybtrensal_xrd_xmscaspt2
Authors: Kragskow, Jon
Description: CASSCF-XMSCASPT2-RASSI-SO calculation of x-ray crystallographic structure of ybtrensal
2020-11-28T11:06:16Z
ybtrensal_opt_xmscaspt2
Kragskow, Jon
https://iochem-bd.bsc.es/browse/handle/100/195072
2020-11-28T10:08:31Z
2020-11-28T11:06:05Z
Title: ybtrensal_opt_xmscaspt2
Authors: Kragskow, Jon
Description: CASSCF-XMSCASPT2-RASSI-SO calculation of ybtrensal PBE0 optimised structure
2020-11-28T11:06:05Z