All Stories

  1. CASPT2 study of the electronic structure and photochemistry of protonated N-nitrosodimethylamine (NDMA-H+) at 453 nm
  2. A SA-CASSCF and MS-CASPT2 study on the electronic structure of nitrosobenzene and its relation to its dissociation dynamics
  3. The electronic structure of metal–molecule hybrids in charged interfaces: surface-enhanced Raman selection rules derived from plasmon-like resonances