The charge-transfer states in a stacked nucleobase dimer complex: A benchmark study. - Adélia J. A. Aquino; Dana Nachtigallova; Pavel Hobza; Donald G. Truhlar; Christof Hättig; Hans Lischka (J. Comput. Chem., 2011)

The unusual stability of H-bonded complexes in solvent caused by greater solvation energy of complex compared to those of isolated fragments. - Rabindranath Lo; Anna Masínová; Maximilián Lamanec; Dana Nachtigallova; Pavel Hobza (J. Comput. Chem., 2023)

Impact of dielectric constant of solvent on the formation of transition metal-ammine complexes. - Debashree Manna; Rabindranath Lo; Vijay Madhav Miriyala; Dana Nachtigallova; Zdenek Trávnícek; Pavel Hobza (J. Comput. Chem., 2024)