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
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  - 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  - 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
T1  - Supercomputer programmieren - ein besonderes Studienangebot in Jülich
JF  - Junge Wissenschaft. 27 (2012), H. 94
Y1  - 2012
SN  - 0179-8529
SP  - 12
EP  - 14
PB  - -
ER  - 
TY  - JOUR
A1  - Grotendorst, Johannes
T1  - IAS Winter School: Hierarchical Methods for Dynamics in Complex Molecular Systems
JF  - Innovatives Supercomputing in Deutschland : inSiDE. 10 (2012), H. 1
Y1  - 2012
SP  - 104
PB  - -
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  - 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
A1  - Dornseiffer, Jürgen
A1  - Schoberth, Siegfried M.
T1  - Symbolic-numeric computation techniques for problem-solving in Physical Chemistry and Biochemistry . Stand 08.06.1994 / Grotendorst, Johannes ; Dornseiffer, Jürgen ; Schoberth, Siegfried M.
Y1  - 1994
N1  - zgl. Technical Report KFA-ZAM-IB-9414 ; Proceedings of the Maple Summer Workshop and Symposium (MSWS'94), Rensselaer Polytechnic Institute, 9-13 August 1994, Troy, New York
PB  - ZAM, KFA
CY  - Jülich
ER  - 
TY  - BOOK
A1  - Grotendorst, Johannes
A1  - Dornseiffer, Jürgen
A1  - Schoberth, Siegfried M.
T1  - Symbolic-numeric computation techniques for problem-solving in Physical Chemistry and Biochemistry . Stand 08.06.1994 / Grotendorst, Johannes ; Dornseiffer, Jürgen ; Schoberth, Siegfried M.
Y1  - 1994
N1  - zgl. Technical Report KFA-ZAM-IB-9414 ; Proceedings of the Maple Summer Workshop and Symposium (MSWS'94), Rensselaer Polytechnic Institute, 9-13 August 1994, Troy, New York
PB  - ZAM, KFA
CY  - Jülich
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  - JOUR
A1  - Grotendorst, Johannes
A1  - Jansen, Paul
A1  - Schoberth, Siegfried
T1  - On Solving the McConnell Equations in Biochemistry / Grotendorst, Johannes ; Jansen, Paul ; Schoberth, Siegfried
JF  - MapleTech. 1 (1993)
Y1  - 1993
SN  - 1061-5733
N1  - zgl. Technical Report KFA-ZAM-IB-9314 ; The Maple Technical Newsletter
SP  - 56
EP  - 62
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
T1  - New Approach for the Electronic Energies of the Hydrogen Molecular Ion / Scott, Tony C. ; Aubert-Frécon, Monique ; Grotendorst, Johannes
JF  - Chemical Physics. 324 (2006), H. 2/3
Y1  - 2006
SN  - 0301-0104
SP  - 323
EP  - 338
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  - 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
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  - 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  -