Publications of the Frank Group

Simulation of chemical dynamics

Showing results 91 - 92 out of 92

1995


Frank, I., Grimme, S., von Arnin, M., & Peyerimhoff, S. D. (1995). The solvent shift in the n → π* excitation of CH2O · nH2O: An MRD-CI investigation using effective potentials for the representation of the water molecules. Chemical Physics, 199(2-3), 145-153. https://doi.org/10.1016/0301-0104(95)00223-B

1994


Frank, I., Grimme, S., & Peyerimhoff, S. D. (1994). Ab Initio Study of the Isomerization of Substituted Benzenes and [6]Paracyclophanes to the Dewar Benzene Isomers. Journal of the American Chemical Society, 116(13), 5949-5953. https://doi.org/10.1021/ja00092a051