Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host-guest binding energies. - Paulius Mikulskis; Daniela Cioloboc; Milica Andrejic; Sakshi Khare; Joakim Brorsson; Samuel Genheden; Ricardo A. Mata; Pär Söderhjelm; Ulf Ryde (J. Comput. Aided Mol. Des., 2014)

Assessment of local coupled cluster methods for excited states of BODIPY/Aza-BODIPY families. - Milica Feldt; Alex Brown (J. Comput. Chem., 2021)