Charge distribution in the water molecule - A comparison of methods. - F. Martin; Hendrik Zipse (J. Comput. Chem., 2005)

On the modeling of arginine-bound carboxylates: A case study with Pyruvate Formate-Lyase. - Karmen Condic-Jurkic; V. Tamara Perchyonok; Hendrik Zipse; David M. Smith (J. Comput. Chem., 2008)

Assessment of theoretical methods for the calculation of methyl cation affinities. - Yin Wei; T. Singer; H. Mayr; G. Narahari Sastry; Hendrik Zipse (J. Comput. Chem., 2008)

The performance of computational techniques in locating the charge separated intermediates in organocatalytic transformations. - Yin Wei; Bandaru Sateesh; Boris Maryasin; G. Narahari Sastry; Hendrik Zipse (J. Comput. Chem., 2009)

A compound QM/MM procedure: Comparative performance on a pyruvate formate-lyase model system. - Karmen Condic-Jurkic; Hendrik Zipse; David M. Smith (J. Comput. Chem., 2010)

O‒O bond homolysis in hydrogen peroxide. - Lakshmanan Sandhiya; Hendrik Zipse (J. Comput. Chem., 2017)

The stability of oxygen-centered radicals and its response to hydrogen bonding interactions. - Vasilii Korotenko; Hendrik Zipse (J. Comput. Chem., 2024)