Singlett Triplett energies
triplett vs singlett conformer 25
Screenshots of structures
Screenshots of triplett cis-conformer 20
c6f5-ps-py-PBETZVP.20-cis-t-k
c6h5-ps-py-PBETZVP.20-cis-t-k
h-ps-py-PBETZVP.20-cis-t-k
Screenshots of singlett cis-conformer 25
c6f5-ps-py-PBETZVP.25-cis-s-k
c6h5-ps-py-PBETZVP.25-cis-s-k
h-ps-py-PBETZVP.25-cis-s-k
Screenshots of singlett cis-conformer 27
c6f5-ps-py-PBETZVP.27-cis-s-k
c6h5-ps-py-PBETZVP.27-cis-s-k
h-ps-py-PBETZVP.27-cis-s-k.sp
Structures for download
Datei:Ps-py-PBETZVP-structures.zip