Heggen, B.; Lan, Z.; Thiel, W. Nonadiabatic Decay Dynamics of 9H-Guanine in Aqueous Solution. Physical Chemistry Chemical Physics 2012, 14, 8137–8146.

Liao, R.-Z.; Thiel, W. Comparison of QM-Only and QM/MM Models for the Mechanism of Tungsten-Dependent Acetylene Hydratase. Journal of Chemical Theory and Computation 2012, 8, 3793–3803.

Schönborn, J. B.; Koslowski, A.; Thiel, W.; Hartke, B. Photochemical Dynamics of E-IPr-Furylfulgide. Physical Chemistry Chemical Physics 2012, 14, 12193–12201.

Wu, X.; Koslowski, A.; Thiel, W. Semiempirical Quantum Chemical Calculations Accelerated on a Hybrid Multicore CPU-GPU Computing Platform. Journal of Chemical Theory and Computation 2012, 8, 2272–2281.

Yurchenko, S. N.; Thiel, W.; Jensen, P. Rotation-Vibration Energy Level Cluster Formation in Three- and Four-Atomic Molecules, 1504th ed.; AIP Journals: Rhodes, 2012; Vol. 1504, pp 491–494.