Reuter, Karsten Chair for Theoretical Chemistry and Catalysis Research Center, Technische Universität München; Theory, Fritz Haber Institute, Max Planck Society;
2108.11749v2.pdf (Preprint), 4MB
Filser, J., Reuter, K., & Oberhofer, H. (2022). Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes. Journal of Chemical Theory and Computation, 18(1), 461-478. doi:10.1021/acs.jctc.1c00834.