Distorted silicon hydrides - a comparative study with various density functionals. - Thomas Krüger; Alexander F. Sax (J. Comput. Chem., 2001)

Methodological Problems in the Calculations on Amorphous Hydrogenated Silicon, a-Si: H. - Alexander F. Sax; Thomas Krüger (International Conference on Computational Science (3), 2002)

Oligovalent link atoms in embedding calculations. - Thomas Krüger; Alexander F. Sax (J. Comput. Chem., 2002)

Identification and thermodynamic treatment of several types of large-amplitude motions. - Gernot Katzer; Alexander F. Sax (J. Comput. Chem., 2005)

Molecular dynamics of cellulose crystal surfaces with ChemShell. - Reinhard Johann Maurer; Alexander F. Sax (ICCS, 2010)

Oxygen versus sulfur: Structure and reactivity of substituted arsine oxides and arsine sulfides. - Andreas Orthaber; Alexander F. Sax; Kevin A. Francesconi (J. Comput. Chem., 2012)

Localization of molecular orbitals on fragments. - Alexander F. Sax (J. Comput. Chem., 2012)