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  - JOUR
A1  - Grotendorst, Johannes
A1  - Scott, Tony C.
A1  - Aubert-Frécon, Monique
A1  - Andrae, D.
A1  - Morgan III, J. D.
A1  - Glasser, M. L.
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
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  - 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  - 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  - 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  - 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  - 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  - 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  - JOUR
A1  - Grotendorst, Johannes
T1  - On calculating the rate of linear convergence of non-linear transformed sequences
JF  - Proceeding SNC '11 Proceedings of the 2011 International Workshop on Symbolic-Numeric Computation
Y1  - 2011
SN  - 978-1-4503-0515-0
SP  - 24
EP  - 33
PB  - ACM
CY  - New York, NY
ER  - 
TY  - JOUR
A1  - Grotendorst, Johannes
T1  - Maple programs for converting series expansions to rational functions using the Levin transformation automatic generation of FORTRAN functions for numerical applications
JF  - Computer Physics Communications. 55 (1991), H. 3
Y1  - 1991
SN  - 0010-4655
SP  - 325
EP  - 335
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
Y1  - 2012
SN  - 0179-8529
VL  - 27
IS  - 94
SP  - 12
EP  - 14
PB  - Verlag Junge Wissenschaft
CY  - Düsseldorf
ER  - 
TY  - JOUR
A1  - Grotendorst, Johannes
T1  - IAS Winter School: Hierarchical Methods for Dynamics in Complex Molecular Systems
JF  - Innovatives Supercomputing in Deutschland : inSiDE
Y1  - 2012
VL  - 10
SP  - 104
EP  - 1
ER  - 
TY  - JOUR
A1  - Gronsfeld, Richard
A1  - Sparla, Peter
A1  - Weinnhold, Wolfgang
T1  - Airborne und terrestrisches Laserscanning - neue Tools für den Talsperrenbetreiber?
JF  - Wasserwirtschaft
Y1  - 2010
U6  - https://doi.org/10.1007/BF03241621
SN  - 0043-0978
VL  - 100
IS  - 4
SP  - 80
EP  - 82
PB  - Springer Vieweg
CY  - Wiesbaden
ER  - 
TY  - JOUR
A1  - Gronsfeld, Richard
A1  - Joachim, Klubert
A1  - Malecha, Hartmut
T1  - 3-D-Visualisierung von vorhandenen Staubauwerken zur holistischen Planung und Überwachung
JF  - Wasserwirtschaft
Y1  - 2019
U6  - https://doi.org/10.1007/s35147-019-0075-x
SN  - 2192-8762
N1  - gedruckt in der Bereichsbibliothek Bayernallee unter der Signatur 13 Z 218 vorhanden
VL  - 109
IS  - 5
SP  - 82
EP  - 85
PB  - Springer
CY  - Berlin
ER  - 
TY  - JOUR
A1  - Grinsven, Bart van
A1  - Vanden Bon, Natalie
A1  - Grieten, Lars
A1  - Murib, Mohammed Sharif
A1  - Janssen, Stoffel Dominique
A1  - Haenen, Ken
A1  - Schneider, E.
A1  - Ingebrandt, Sven
A1  - Schöning, Michael Josef
A1  - Vermeeren, Veronique
A1  - Ameloot, Marcel
A1  - Michiels, Luc
A1  - Thoelen, Ronald
A1  - De Ceuninck, Ward A.
A1  - Wagner, Patrick
T1  - Rapid assessment of the stability of DNA duplexes by impedimetric real-time monitoring of chemically induced denaturation
JF  - Lab on a Chip
Y1  - 2011
SN  - 1473-0197
VL  - 11
IS  - 9
SP  - 1656
EP  - 1663
PB  - Royal Society of Chemistry (RSC)
CY  - Cambridge
ER  - 
TY  - JOUR
A1  - Grinsven, Bart van
A1  - Bon, Natalie vanden
A1  - Strauven, Hannelore
A1  - Grieten, Lars
A1  - Murib, Mohammed
A1  - Jiménez Monroy, Kathia L.
A1  - Janssens, Stoffel D.
A1  - Haenen, Ken
A1  - Schöning, Michael Josef
A1  - Vermeeren, Veronique
A1  - Ameloot, Marcel
A1  - Michiels, Luc
A1  - Thoelen, Ronald
A1  - Ceuninck, Ward de
A1  - Wagner, Patrick
T1  - Heat-Transfer Resistance at Solid-Liquid Interfaces: A Tool for The Detection of Single Nucleotide Polymorphisms in DNA.
JF  - ACS Nano
N2  - In this article, we report on the heat-transfer resistance at interfaces as a novel, denaturation-based method to detect single-nucleotide polymorphisms in DNA. We observed that a molecular brush of double-stranded DNA grafted onto synthetic diamond surfaces does not notably affect the heat-transfer resistance at the solid-to-liquid interface. In contrast to this, molecular brushes of single-stranded DNA cause, surprisingly, a substantially higher heat-transfer resistance and behave like a thermally insulating layer. This effect can be utilized to identify ds-DNA melting temperatures via the switching from low- to high heat-transfer resistance. The melting temperatures identified with this method for different DNA duplexes (29 base pairs without and with built-in mutations) correlate nicely with data calculated by modeling. The method is fast, label-free (without the need for fluorescent or radioactive markers), allows for repetitive measurements, and can also be extended toward array formats. Reference measurements by confocal fluorescence microscopy and impedance spectroscopy confirm that the switching of heat-transfer resistance upon denaturation is indeed related to the thermal on-chip denaturation of DNA.
Y1  - 2012
U6  - https://doi.org/10.1021/nn300147e
SN  - 1936-086X
VL  - 6
IS  - 3
SP  - 2712
EP  - 2721
PB  - ACS Publications
CY  - Washington, DC
ER  -