TY - JOUR A1 - Linke, Thomas A1 - Tompits, Hans A1 - Woltran, Stefan T1 - On Acyclic and head-cycle free nested logic programs Y1 - 2004 SN - 3-540-22671-01 ER - TY - JOUR A1 - Linke, Thomas A1 - Tompits, Hans A1 - Woltran, Stefan T1 - On acyclic and head-cycle free nested logic programs Y1 - 2004 ER - TY - BOOK A1 - Saposhnikov, V. V. A1 - Saposhnikov, Vl. V. A1 - Morozov, Alexei A1 - Gössel, Michael T1 - Necessary and Sufficient Conditions for the Existence of Self-Checking Circuits ba Use of Complementary Circuits T3 - Preprint / Universität Potsdam, Institut für Informatik Y1 - 2004 SN - 0946-7580 VL - 2004, 1 PB - Univ. CY - Potsdam ER - TY - BOOK A1 - Marienfeld, Daniel A1 - Sogomonyan, Egor S. A1 - Ocheretnij, V. A1 - Gössel, Michael T1 - Self-checking Output-duplicated Booth-2 Multiplier T3 - Preprint / Universität Potsdam, Institut für Informatik Y1 - 2005 SN - 0946-7580 VL - 2005, 1 PB - Univ. CY - Potsdam ER - TY - JOUR A1 - Klika, Karel D. A1 - Kramer, Markus A1 - Kleinpeter, Erich T1 - DFT computational studies of hydrogen bonding-based diastereomeric complexes : limitations and applications to enantiodifferentiation N2 - Molecular modeling calculations using DFT at the B3LYP/6-31G(d,p) level of theory have been performed on diastereomeric complexes formed between chiral carboxylate anions and chiral urea receptors, a combination previously demonstrated to enable enantiodifferentiation by electrochemical sensing. The calculations correctly predicted the stability order of the enantiomers in acetonitrile solution when the distinction between the enantiomers was above the declared threshold reliability value of 1 kcal mol;1 for computations at this level of theory. Thus, the calculations can not only be applied to predict the likely success of undertakings using the analytical method, it can also, provided ;E is sufficient, potentially be used to determine the absolute configuration of chiral analytes with at least the racemate in hand. The previously successful enantiodifferentiations of various amino acids and alcohols using chiral ion mobility spectroscopy (CIMS) with (S)-2-butanol as the chiral selector were also evaluated by DFT calculations. The calculations again correctly predicted the stability order of the enantiomers when the calculated ;E was above the threshold value though cases not providing a value for ;E above the threshold value was problematic for this system. Attempts to address this shortcoming included an expanded conformational evaluation, a broader analytical approach, and an extended basis set. Y1 - 2009 UR - http://www.sciencedirect.com/science/journal/01661280 U6 - https://doi.org/10.1016/j.theochem.2009.08.003 SN - 0166-1280 ER - TY - JOUR A1 - Modarresi, Ali Reza A1 - Najafi, Parisa A1 - Rostamizadeh, Mohsen A1 - Keykha, Hossein A1 - Bijanzadeh, Hamid-Reza A1 - Kleinpeter, Erich T1 - Dynamic 1H NMR study of the barrier to rotation about the C-N bond in primary carbamates and its solvent dependence N2 - The dynamic 1H NMR study of some primary carbamates in the solvents CDCl3 and CD3COCD3 between 183 and 298 K is reported. The free energies of activation, thus obtained (12.4 to 14.3 kcal mol-1), were attributed to the conformational isomerization about the N-C bond. These barriers to rotation show solvent dependence in contrast to the tertiary analogues and are lower in free energy by ca. 2-3 kcal mol-1. Y1 - 2007 ER - TY - BOOK A1 - Kapanadze, David A1 - Schulze, Bert-Wolfgang A1 - Seiler, Jörg T1 - Operators with singular trace conditions on a manifold with edges T3 - Preprint / Universität Potsdam, Institut für Mathematik, Arbeitsgruppe Partiell Y1 - 2006 SN - 1437-739X PB - Univ. CY - Potsdam ER - TY - BOOK A1 - Fedosov, Boris T1 - On a spectral theorem for deformation quantization T3 - Preprint / Universität Potsdam, Institut für Mathematik, Arbeitsgruppe Partiell Y1 - 2006 SN - 1437-739X PB - Univ. CY - Potsdam ER - TY - BOOK A1 - Gil, J. B. A1 - Krainer, Thomas A1 - Mendoza, Gerardo A. T1 - On rays of minimal growth for elliptic cone operators T3 - Preprint / Universität Potsdam, Institut für Mathematik, Arbeitsgruppe Partiell Y1 - 2006 SN - 1437-739X PB - Univ. CY - Potsdam ER - TY - BOOK A1 - Makhmudov, O. I. A1 - Niyozov, I. E. A1 - Tarkhanov, Nikolai Nikolaevich T1 - The cauchy problem of couple-stress elasticity T3 - Preprint / Universität Potsdam, Institut für Mathematik, Arbeitsgruppe Partiell Y1 - 2006 SN - 1437-739X PB - Univ. CY - Potsdam ER -