Zeige Ergebnisse 91 - 97 von 97
1998
Frank, I., Hutter, J., Marx, D., & Parrinello, M. (1998). Molecular dynamics in low-spin excited states. Journal of Chemical Physics, 108(10), 4060-4069. https://doi.org/10.1063/1.475804
1996
Frank, I., Grimme, S., & Peyerimhoff, S. D. (1996). Quantum chemical investigations of the thermal and photoinduced proton-transfer reactions of 2-(2′,4′-dinitrobenzyl)pyridine. Journal of Physical Chemistry, 100(40), 16187-16194. https://doi.org/10.1021/jp960923+
Frank, I., Marx, D., & Parrinello, M. (1996). Structure and electronic properties of quinizarin chemisorbed on alumina. Journal of Chemical Physics, 104(20), 8143-8150. https://doi.org/10.1063/1.471490
1995
Frank, I., Marx, D., & Parrinello, M. (1995). First Principles Investigation of Quinizarin Chemisorbed on α-Al2O3. Journal of the American Chemical Society, 117(30), 8037-8038. https://doi.org/10.1021/ja00135a031
Frank, I., Grimme, S., Peyerimhoff, S. D., Sauter, B., & Bräuchle, C. (1995). Theoretical investigation of the relation of hole-burning properties and the electronic structure of chemisorbed dyes. Journal of Chemical Physics, 103(1), 219-226. https://doi.org/10.1063/1.469635
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
