Chemical Structure from Scientific Research

Open access visualization of Chemical Structure, Excited-State Energies, Difference Density Plots, SCS-CC2/cc-pVDZ, TDA-PBE0/6-31G(d,p)
CC-BY
1
Views
0
Likes

Citation

DOI: 10.1002/adma.202402289

DOI

Excited-state energies and difference density plots of S1, S2, T1, and T2 calculated at SCS-CC2/cc-pVDZ based on the respective S1 and T1 optimized excited-state geometries calculated at TDA-PBE0/6-31G(d,p), (isovalue = 0.001) off-DOABNA. f denotes the oscillator strength for the transition to the excited singlet state.

#Chemical Structure#Excited-State Energies#Difference Density Plots#SCS-CC2/cc-pVDZ#TDA-PBE0/6-31G(d,p)#Oscillator Strength#Singlet State

Related Plots

Discover More Scientific Plots

Browse thousands of high-quality scientific visualizations from open-access research

Browse All PlotsView Collections