Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules. - Maja Gruden; Ljubica Andjeklovic; Akkarapattiakal Kuriappan Jissy; Stepan Stepanovic; Matija Zlatar; Qiang Cui; Marcus Elstner (J. Comput. Chem., 2017)

The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin States. - Stepan Stepanovic; Matija Zlatar; Marcel Swart; Maja Gruden (J. Chem. Inf. Model., 2019)