* Henryk A. Witek, Takahito Nakijima, Kimihiko Hirao, "Relativistic and correlated all-electron calculations on the ground and excited states of AgH and AuH", J. Chem. Phys. 113, 8015 (2000).
* Henryk A. Witek, Stephan Irle, Keiji Morokuma, "Analytical second-order geometrical derivatives of energy for the self-consistent-charge density-functional tight-binding method", J. Chem. Phys. 121, 5163 (2004).
* Su YT, Huang YH, Witek HA, Lee YP, "Infrared absorption spectrum of the simplest Criegee intermediate CH2OO", Science 340, 174 (2013).