TY - JOUR A1 - Grotendorst, Johannes T1 - A Maple package for transforming series, sequences and functions JF - Computer Physics Communications. 67 (1991), H. 2 Y1 - 1991 SN - 0010-4655 SP - 325 EP - 342 ER - TY - JOUR A1 - Grotendorst, Johannes T1 - Algorithms of mixed symbolic-numeric type for rational approximation JF - Artificial intelligence, expert systems and symbolic computing : selected and revised papers from the IMACS 13th World Congress [on Computation and Applied Mathematics], Dublin, Ireland, July 1991 / ed. by Elias N. Houstis ... Y1 - 1992 SN - 0-444-89703-8 N1 - zgl. Technical Report KFA-ZAM-IB-9205 ; World Congress on Computation and Applied Mathematics <13, 1991, Dublin> ; International Association for Mathematics and Computers in Simulation SP - 145 EP - 154 PB - North-Holland CY - Amsterdam ER - TY - JOUR A1 - Grotendorst, Johannes T1 - Approximating functions by means of symbolic computation and a general extrapolation method JF - Computer Physics Communications. 59 (1990), H. 2 Y1 - 1990 SN - 0010-4655 SP - 289 EP - 301 ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Scott, Tony C. A1 - Aubert-Frécon, Monique A1 - Hadinger, Gisèle T1 - Asymptotically exact calculation of the exchange energies of one-active-electron diatomic ions with the surface integral method / Scott, Tony C. ; Aubert-Frécon, Monique ; Hadinger, Gisèle ; Andrae, Dirk ; Grotendorst, Johannes ; Morgan Ill, John D. JF - Journal of Physics B: Atomic, Molecular and Optival Physics. 37 (2004), H. 22 Y1 - 2004 SN - 0953-4075 SP - 4451 EP - 4469 ER - TY - BOOK A1 - Grotendorst, Johannes T1 - Calculation of Chemical Equilibrium Compositions : Interner Bericht Y1 - 1994 N1 - Technical Report IB-9406 ; KFA-ZAM-IB-9406 PB - Forschungszentrum Jülich CY - Jülich ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Shuang-Ren, Zhao A1 - Halling, Horst T1 - Calculation of the Potential Distribution for a Three-Layer Spherical Volume Conductor / Shuang-Ren, Zhao ; Grotendorst, Johannes ; Halling, Horst JF - MapleTech . 2 (1996), H. 1 Y1 - 1996 SN - 1061-5733 N1 - zugl. Technical Report KFA-ZAM-IB-9511 ; The Maple Technical Newsletters SP - 59 EP - 66 ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Eitrich, T. A1 - Kless, A. A1 - Druska, C. T1 - Classification of Highly Unbalanced CYP450 Data of Drugs Using Cost Sensitive Machine Learning Techniques / Eitrich, T. ; Kless, A. ; Druska, C. ; Meyer, W. ; Grotendorst J. JF - Journal of Chemical Information and Modeling. 47 (2007), H. 1 Y1 - 2007 SN - 1549-9596 SP - 92 EP - 103 ER - TY - BOOK A1 - Grotendorst, Johannes T1 - Computational Nanoscience: Do it yourself! : winter school, 14 - 22 February 2006, Forschungszentrum Jülich, Germany ; lecture notes / Grotendorst, Johannes Y1 - 2006 SN - 3-00-017350-1 N1 - NIC series ; 31 ; Forschungszentrum / John-von-Neumann-Institut für Computing PB - NIC CY - Jülich ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Dornseiffer, Jürgen T1 - Computer-aided Modelling and Simulation of the Thermodynamics of Steam Reforming / Grotendorst, Johannes ; Dornseiffer, Jürgen JF - Mathematics and Computers in Simulation. 51 (2000), H. 5 Y1 - 2000 SN - 0378-4754 N1 - Technical Report FZJ-ZAM-IB-9812, August 1998 SP - 451 EP - 471 ER - TY - BOOK A1 - Grotendorst, Johannes T1 - ComputerMathematik mit Maple Y1 - 2003 SN - 3-89336-325-4 PB - Forschungszentrum Jülich CY - Jülich ER - TY - BOOK A1 - Grotendorst, Johannes T1 - ComputerMathematik mit Maple / 2. Aufl. Y1 - 2003 SN - 3-89336-354-8 N1 - Schriften des Forschungszentrums Jülich : Reihe Informationstechnik ; 5 PB - Forschungszentrum Jülich CY - Jülich ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Kless, A. A1 - Dickhaus, T. A1 - Meyer, W. T1 - Data Mining in der pharmazeutischen Forschung und Entwicklung / Kless, A. ; Dickhaus, T. ; Meyer, W. ; Grotendorst, J. JF - LITUS - Laboratory IT User Service. 1 (2004) Y1 - 2004 SP - 20 EP - 21 ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Kless, A. A1 - Eitrich, T. T1 - Data Mining in F & E / Kless, A. ; Eitrich, T. ; Meyer, W. ; Grotendorst, J. JF - BioWorld: Magazin für Molekularbiologische und Biotechnologische Applikationen. 9 (2004), H. 2 Y1 - 2004 SN - 1424-8514 SP - 22 EP - 23 ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Schoberth, S. M. A1 - Chapman, B. E. A1 - Kuchel, P. W. T1 - Ethanol Transport in Zymomonas mobilis Measured by Using in Vivo Nuclear Magnetic Resonance Spin Transfer / Schoberth, S. M. ; Chapman, B. E. ; Kuchel, P. W. ; Wittig, R. M. ; Grotendorst, Johannes ; Jansen, Paul ; Graaf, A. A. de JF - Journal of Bacteriology. 178 (1996), H. 6 Y1 - 1996 SN - 0021-9193 SP - 1756 EP - 1761 ER - TY - JOUR A1 - Grotendorst, Johannes A1 - Scott, Tony C. A1 - Aubert-Frécon, Monique A1 - Andrae, D. T1 - Exchange Energy for Two-Active-Electron Diatomic Systems within the Surface Integral Method / Scott,T. C .; Aubert-Frécon, M. ; Andrae, D. ; Grotendorst, J. ; Morgan III, J. D. ; Glasser, M. L. JF - Applicable Algebra in Engineering, Communication and Computing. 15 (2004), H. 2 Y1 - 2004 SN - 0938-1279 N1 - zugl. Technical Report FZJ-ZAM-IB-2004-02, April 2004, 24 pages SP - 101 EP - 128 ER - TY - BOOK A1 - Grotendorst, Johannes T1 - GALA - Grünenthal Applied Life Science Analysis : Bericht ; [Projektdokumentation] / John von Neumann-Institut für Computing (NIC); Zentralinstitut für Angewandte Mathematik. Achim Kless und Johannes Grotendorst (Hrsg.) Y1 - 2006 SN - 3-00-017349-8 N1 - NIC-Serie ; 30 ; John von Neumann-Institut für Computing PB - NIC CY - Jülich ER - TY - BOOK A1 - Grotendorst, Johannes T1 - Gekoppelte SMP-Systeme im wissenschaftlich-technischen Hochleistungsrechnen - Status und Entwicklungsbedarf : Analyse im Auftrag des BMBF / Federführung: Zentralinstitut für Angewandte Mathematik, Forschungszentrum Jülich GmbH ... Ansprechpartner: F. Hoßfeld Y1 - 1999 N1 - Förderkennzeichen BMBF 01 IR 903. - Engl. Zsfassung u.d.T.: Coupled SMP-systems for scientific high-performance computing. PB - Zentralinstitut für Angewandte Mathematik CY - Jülich ER - TY - BOOK A1 - Grotendorst, Johannes A1 - Scott, Tony C. A1 - Mann, Robert A1 - Martinez Il, Roberto E. T1 - General Relativity and Quantum Mechanics: Towards a Generalization of the Lambert W Function / Scott, Tony C. ; Mann, Robert ; Martinez Il, Roberto E. ; Grotendorst, Johannes Y1 - 2005 N1 - Technical Report FZJ-ZAM-IB-2005-10 CY - Jülich ER - TY - BOOK A1 - Grotendorst, Johannes T1 - Hierarchical methods for dynamics in complex molecular systems : IAS Winter School, 5 - 9 March 2012, Forschungszentrum Jülich GmbH ; lecture notes / ed. by Johannes Grotendorst, Godehard Sutmann, Gerhard Gompper, Dominik Marx Y1 - 2012 SN - 978-3-89336-768-9 N1 - (Schriften des Forschungszentrums Jülich IAS Series 10) PB - Forschungszentrum Jülich CY - Jülich ER - TY - BOOK A1 - Grotendorst, Johannes T1 - High performance computing in chemistry : report of the joint research project: High Performance Computing in Chemistry - HPC-Chem ; funded by the Federal Ministry for Education and Research (BMBF) ; period: 1 March 2001 - 29 February 2004 / ed. by Johannes Grotendorst Y1 - 2004 SN - 3-00-013618-5 N1 - NIC-Serie ; 25 ; John von Neumann Institute for Computing PB - NIC CY - Jülich ER -