Publications about TeleSpec
J. Schuur, P. Selzer, J. Gasteiger
The Coding of the Three-dimensional Structure of
Molecules by Molecular Transforms and Its Application
to Structure - Spectra Correlations and Studies of
Biological Activity
J. Chem. Inf. Comput. Sci.,
1996, 36, 334-344
J. Gasteiger, T. Kostka, P. Selzer,
S. Bauerschmidt, R. Höllering, L. Steinhauer
Computer Methods for the Prediction and Identification
of Degradation Products of Chemicals Using IR Spectra
Simulation
Proceed. ECO-INFORMA´97, Eco-Informa Press,
1997, 509-513
T. Kostka, P. Selzer, J. Gasteiger
Rapid Identification of Herbicide Degradation Products
Using Reaction Prediction and Infrared Spectra
Simulation Methods
Proceed. ECO-INFORMA´97, Eco-Informa Press,
1997, 514-516
J. Schuur, J. Gasteiger
Infrared Spectra Simulation of Substituted Benzene
Derivatives on the Basis of a Novel 3D Structure
Representation
Anal. Chem., 1977,
69, 2398-2405
J. Schuur, P. Selzer, V. Steinhauer, J.
Gasteiger
Kooperative, rechnergesttzte IR-Spektreninterpretation
- Neue Wege für die Infrarotspektroskopie
GIT Fachzeitschr. Labor.,
1997, 283-286
J. Gasteiger, J. Schuur, P. Selzer,
L. Steinhauer, V. Steinhauer
Finding the 3D Structure of a Molecule in Its IR
Spectrum
Fresenius J. Anal. Chem.,
1977, 359, 50-55
J. Schuur, P. Selzer, V. Steinhauer, J.
Gasteiger
3D Structure Coding Opens New Applications for IR
Spectroscopy
Linking and Interpreting Spectra through Molecular
Structures, LISMS, Charlton, Chichester,
1997, 15-28
T. Kostka, P. Selzer, J.
Gasteiger
Computer-Assisted Prediction of the Degradation
Products and Infrared Spectra of s-Triazine
Herbicides
in "Software-Entwicklung in der Chemie 11" G.
Fels, V. Schubert (Hrsg.),
GDCh, Frankfurt/Main, 1997, p.
227-233
V. Steinhauer, J. Gasteiger
Kombinierte Anwendung von Pulverrötgenstrukturanalyse
und IR-Spektroskopie zur Aufklärung der 3D-Struktur
organischer Substanzen
in "Software-Entwicklung in der Chemie 11", G.
Fels, V. Schubert (Hrsg.),
GDCh, Frankfurt/Main, 1997, p.
239-242
P. Selzer, M.C. Hemmer, J. Schuur,
V. Steinhauer, J. Gasteiger
TeleSpek - Telekooperation in der Spektroskopie
Nachr. Chem. Tech. Lab.,
1998, 46(4), A78-A82
M.C. Hemmer, P. Selzer, J. Schuur, J.
Gasteiger
Telekooperation in der Spektroskopie
DFN Mitt., 1998, 47,
12-14
P. Selzer
IR Spectra Simulations and Information Processing on
the WWW
CHIMIA, 1998, 52,
678-682.
P. Selzer
Infrared Data Correlations with Chemical Structure
in: Encyclopedia of Computational Chemistry,
Schleyer P. v. R.; Allinger, N. L.; Clark, T.;
Gasteiger, J.; Kollmann, P. A.; Schaefer III, H. F.;
Schreiner, P. (Eds.),
John Wiley & Sons, Chichester,
1998, p. 1299-1306.
J. Gasteiger, P. Selzer
Spektroskopie im Internet
GIT Labor-Fachzeitschrift,
1999, 2, 97-99
M. C. Hemmer, V. Steinhauer, J.
Gasteiger
The Prediction of the 3D Structure of Organic Molecules
from Their Infrared Spectra
Vibrat. Spectroscopy, 1999,
19, 151-164
M.C. Hemmer, J. Gasteiger
Prediction of three-dimensional structure using
Information from Infrared spectra
Anal. Chim. Acta, 2000,
420, 145-154
P. Selzer, J. Gasteiger, H. Thomas, R
Salzer
Rapid Access to Infrared Spectra of Arbitrary Organic
Compounds: Scope and Limitations of an Approach to the
Simulation of Infrared Spectra by Neural Networks
Chemistry - A European Journal,
2000, 6, 920-927
M.C. Hemmer
Infrarotspektren-Simulation und Datenbank im
WorldWideWeb
Nachr. Chem. Tech. Lab.,
2000, 48(7), 820-825