All electronic suplementary information of the papers I contribute to
- DNA Bases Partition Coefficients: Study of different atomic charges in force fields on their reproduction of the partition coefficients
- FreeSolv_HI_MBIS_JCIM2018: Hydration free energies of 614 organic molecules obtained with the MBIS and Hirshfeld-I atomic charges.
- Optimizes structures of H2O2, OH and OH* with several DFT methods
- Input files for the SAMPL6 logP challenges