Lehrstuhl für Theoretische Chemie

Deeper Insight into the Six-Step Domino Reaction of Aldehydes with Malononitrile and Evaluation of Antiviral and Antimalarial Activities of the Obtained Bicyclic Products. (2017) Bock C, Gangajji P, Bönisch S, Bauer W, Hutterer C, Leidenberger M, Friedrich O, et al. Journal article Coverage-Dependent Anchoring of 4,4 '-Biphenyl Dicarboxylic Acid to CoO(111) Thin Films (2017) Mohr S, Schmitt T, Döpper T, Xiang F, Schwarz M, Görling A, Schneider MA, Libuda J Journal article Trifluoromethyl: An Amphiphilic Noncovalent Bonding Partner (2017) Esterhuysen C, Heßelmann A, Clark T Journal article Surface Reaction of CO on Carbide-Modified Mo(110) (2017) Gleichweit C, Neiß C, Maisel S, Bauer U, Späth F, Höfert O, Görling A, et al. Journal article Detailed Investigation of the Mechanism of Rh-Diphosphite Supported Ionic Liquid Phase (SILP)-Catalyzed 1-Butene Hydroformylation in the Gas Phase via Combined Kinetic and Density Functional Theory (DFT) Modeling Studies (2017) Walter S, Spohr H, Franke R, Hieringer W, Wasserscheid P, Haumann M Journal article ZnO Nanoparticle Formation from the Molecular Precursor [MeZnOtBu](4) by Ozone Treatment in Ionic Liquids: in-situ Vibrational Spectroscopy in an Ultrahigh Vacuum Environment (2017) Bauer T, Voggenreiter M, Xu T, Wähler T, Agel F, Pohako-Esko K, Schulz P, et al. Journal article Fundamental theoretical and practical investigations of the polymorph formation of small amphiphilic molecules, their co-crystals and salts (2017) Martin T, Niemietz P, Greim D, Ectors P, Senker J, Zahn D, Breu J Journal article Elucidating water dynamics in MgCl2 hydrates from molecular dynamics simulation (2017) Huinink HP, Zahn D Journal article Investigations on the growth of bismuth oxido clusters and the nucleation to give metastable bismuth oxide modifications (2017) Weber M, Schlesinger M, Walther M, Zahn D, Schalley CA, Mehring M Journal article Solvation structure and dynamics of Ag+ in aqueous ammonia solutions: A molecular simulation study (2017) Sansotta S, Zahn D Journal article