Lehrstuhl für Organische Chemie I

Geometry and GIAO-DFT chemical shift calculations of calixarene complexes-the inclusion of carbon disulfide in p-tert-butylcalix[4]arene (2000) Schatz J Journal article, Original article The inclusion of carbon disulfide in p-tert-butylcalix[4]-and [6]arene - A combined crystallographic and vibrational spectroscopic study (2000) Schatz J, Schildbach F, Lentz A, Rastätter S, Schilling J, Dormann JM, Ruoff A, Debaerdemaeker T Journal article, Original article CCDC 136841: Experimental Crystal Structure Determination (2000) Schatz J, Schildbach F, Lentz A, Rastätter S, Schilling J, Dormann JM, Ruoff A Other publication type CCDC 136840: Experimental Crystal Structure Determination (2000) Schatz J, Schildbach F, Lentz A, Rastätter S, Schilling J, Dormann JM, Ruoff A Other publication type The use of quantum mechanics for QSPR and QSAR models with error estimation (1999) Clark T, Beck B, Breindl A, Hennemann M Journal article 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