Calculation of rotational partition functions by an efficient Monte Carlo importance sampling technique. - Maxim Tafipolsky; Rochus Schmid (J. Comput. Chem., 2005)

Ab initio parametrized MM3 force field for the metal-organic framework MOF-5. - Maxim Tafipolsky; Saeed Amirjalayer; Rochus Schmid (J. Comput. Chem., 2007)