Lehrstuhl für Organische Chemie I

A semiempirical QM/MM implementation and its application to the absorption of organic molecules in zeolites (1999) Clark T, Alex A, Beck B, Gedeck P, Lanig H Journal article Enhanced 3D-databases: A fully electrostatic database of AM1-optimized structures (1998) Beck B, Horn A, Clark T Journal article Novel nine-membered titanaheterocycles - Structure, ab initio calculations, and preparative use towards the selective synthesis of substituted cyclopentanols (1998) Hampel F, van Eikema Hommes N, Hoops S, Maaref F, Schobert R Journal article Some biological applications of semiempirical MO theory (1998) Beck B, Clark T Journal article Investigations on the dynamic properties of 25,26,27,28-tetraalkoxy28-tetraalkoxycalix[4]arenes: Para-substituent- and solvent-dependent properties of paco conformers and determination of thermodynamic parameters of the pinched conelpinched cone conversion (1998) Soi A, Bauer W, Mauser H, Moll C, Hampel F, Hirsch A Journal article, Original article Thermal gravimetry, mass spectrometry and solid-state 13C NMR spectroscopy - Simple and efficient methods to characterize the inclusion behaviour of p-tert-butylcalix[n]arenes (1998) Schatz J Journal article, Original article Thiocarbonyl Compounds in [4+2] Cycloadditions: Preparative Aspects (1998) Breu J, Höcht P, Rohr U, Schatz J, Sauer J Journal article, Original article Thio- and Selenocarbonyl Compounds as "Superdienophiles" in [4+2] Cycloadditions (1998) Rohr U, Schatz J, Sauer J Journal article, Original article QM (semiempirical MO) MM binding studies. (1997) Clark T, Gedeck P, Lanig H, Beck B Other publication type Synthesis, Structure, and Reactivity of Ruthenium and Osmium Nitrido Complexes with 1,2-Benzenedithiolate Ligands: N- versus S-Alkylation. (1997) Sellmann D, Wemple M, Donaubauer W, Heinemann FW Journal article