Preview

biphenyl_dimer
- PM
  - 01_PM-dimer_PM7-OPT.xyz
    
    1.9 kB
  - 02_PM-dimer_DFT-OPT.xyz
    
    3.4 kB
  - 03_PM-dimer_TDDFT-SP.out
    
    13.7 MB
  - 04_PM-dimer_ECD.dat
    
    15.1 kB
  - MOs
    - 03_PM-dimer_TDDFT-SP.molden.input
      
      26.3 MB
    - CPs_homo-1_TDDFT-SP_PM-dimer.xyz
      
      5.5 kB
    - CPs_homo_TDDFT-SP_PM-dimer.xyz
      
      5.5 kB
    - CPs_lumo_TDDFT-SP_PM-dimer.xyz
      
      6.0 kB
    - orb_homo_biphenyl_PMdimer.cube
      
      25.1 MB
- PP
  - 01_PP-dimer_PM7-OPT.xyz
    
    1.9 kB
  - 02_PP-dimer_DFT-OPT.xyz
    
    3.4 kB
  - 03_PP-dimer_TDDFT-SP.out
    
    13.7 MB
  - 04_PP-dimer_ECD.dat
    
    17.1 kB
  - MOs
    - 03_PP-dimer_TDDFT-SP.molden.input
      
      26.3 MB
    - CPs_homo_TDDFT-SP_PP-dimer.xyz
      
      5.7 kB
    - CPs_lumo_TDDFT-SP_PP-dimer.xyz
      
      6.3 kB
    - orb_homo_biphenyl_PPdimer.cube
      
      25.2 MB
- README
  
  631 Bytes