J. Schuur

发表

Infrared Spectra Simulation of Substituted Benzene Derivatives on the Basis of a 3D Structure Representation.

J. Gasteiger, J. Schuur, 1997, Analytical chemistry.

Chemical Information in 3D Space

J. Gasteiger, J. Sadowski, P. Selzer, 1997 .

Finding the 3D structure of a molecule in its IR spectrum

J. Gasteiger, P. Selzer, J. Schuur, 1997 .

Chemical Information in 3D Space

Johann Gasteiger, Jens Sadowski, Paul Selzer, 1996, J. Chem. Inf. Comput. Sci..

The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity

Johann Gasteiger, Paul Selzer, Jan H. Schuur, 1996, J. Chem. Inf. Comput. Sci..

Cellmetry: A first‐principle pK a determination by plane‐wave functions

J. Schuur, Mihály Purgel, 2022, International Journal of Quantum Chemistry.

Epac as a novel effector of airway smooth muscle relaxation

J. Schuur, S. Roscioni, H. Meurs, 2010 .

Infrared Spectra Simulation of Substituted Benzene Derivatives on the Basis of a 3D Structure Representation.

J. Schuur, Johann Gasteiger, 1997, Analytical chemistry.

First principle determination of stability constants of metal complexes by cellmetry method

J. Schuur, Mihály Purgel, 2023, International Journal of Quantum Chemistry.