COSMO-RS predictions of logP in the SAMPL7 blind challenge
Warnau, Judith, Wichmann, Karin, Reinisch, Jens
Published in Journal of computer-aided molecular design (01.07.2021)
Published in Journal of computer-aided molecular design (01.07.2021)
Get full text
Journal Article
COSMOsim3D: 3D-Similarity and Alignment Based on COSMO Polarization Charge Densities
Thormann, Michael, Klamt, Andreas, Wichmann, Karin
Published in Journal of chemical information and modeling (27.08.2012)
Published in Journal of chemical information and modeling (27.08.2012)
Get full text
Journal Article
COSMOsar3D: Molecular Field Analysis Based on Local COSMO σ‑Profiles
Klamt, Andreas, Thormann, Michael, Wichmann, Karin, Tosco, Paolo
Published in Journal of chemical information and modeling (27.08.2012)
Published in Journal of chemical information and modeling (27.08.2012)
Get full text
Journal Article
COSMO sim3D : 3D-Similarity and Alignment Based on COSMO Polarization Charge Densities
Thormann, Michael, Klamt, Andreas, Wichmann, Karin
Published in Journal of chemical information and modeling (27.08.2012)
Published in Journal of chemical information and modeling (27.08.2012)
Get full text
Journal Article
COSMO sar3D : Molecular Field Analysis Based on Local COSMO σ-Profiles
Klamt, Andreas, Thormann, Michael, Wichmann, Karin, Tosco, Paolo
Published in Journal of chemical information and modeling (27.08.2012)
Published in Journal of chemical information and modeling (27.08.2012)
Get full text
Journal Article
Towards a rigorously defined quantum chemical analysis of the chemical bond in donor–acceptor complexes
Frenking, Gernot, Wichmann, Karin, Fröhlich, Nikolaus, Loschen, Christoph, Lein, Matthias, Frunzke, Jan, Rayón, Vı́ctor M
Published in Coordination chemistry reviews (01.03.2003)
Published in Coordination chemistry reviews (01.03.2003)
Get full text
Journal Article
COSMOsar3D: Molecular Field Analysis Based on Local COSMO [sigma]-Profiles
Klamt, Andreas, Thormann, Michael, Wichmann, Karin, Tosco, Paolo
Published in Journal of chemical information and modeling (27.08.2012)
Get full text
Published in Journal of chemical information and modeling (27.08.2012)
Journal Article
Nature of the Metal−Ligand Bond in M(CO)5PX3 Complexes (M = Cr, Mo, W; X = H, Me, F, Cl): Synthesis, Molecular Structure, and Quantum-Chemical Calculations
Frenking, Gernot, Wichmann, Karin, Fröhlich, Nikolaus, Grobe, Joseph, Golla, Winfried, Van, Duc Le, Krebs, Bernt, Läge, Mechtild
Published in Organometallics (08.07.2002)
Published in Organometallics (08.07.2002)
Get full text
Journal Article
COSMOsim3D for drug-similarity, alignment, and molecular field analysis
Klamt, Andreas, Wichmann, Karin, Thormann, Michael
Published in Journal of cheminformatics (01.05.2012)
Published in Journal of cheminformatics (01.05.2012)
Get full text
Journal Article
Molecular Similarity Searching Using COSMO Screening Charges (COSMO/3PP)
Bender, Andreas, Klamt, Andreas, Wichmann, Karin, Thormann, Michael, Glen, Robert C.
Published in Computational Life Sciences (2005)
Published in Computational Life Sciences (2005)
Get full text
Book Chapter
Conference Proceeding
[Pt2(GaCp)2(μ2-GaCp)3]: structure and bonding situation of the first homoleptic platinum complex with terminal and bridging CpGa ligands
Weiß, Dana, Winter, Manuela, Fischer, Roland A., Yu, Chen, Wichmann, Karin, Frenking, Gernot
Published in Chemical communications (Cambridge, England) (01.01.2000)
Published in Chemical communications (Cambridge, England) (01.01.2000)
Get full text
Journal Article
Nature of the Metal−Ligand Bond in M(CO) 5 PX 3 Complexes (M = Cr, Mo, W; X = H, Me, F, Cl): Synthesis, Molecular Structure, and Quantum-Chemical Calculations
Frenking, Gernot, Wichmann, Karin, Fröhlich, Nikolaus, Grobe, Joseph, Golla, Winfried, Van, Duc Le, Krebs, Bernt, Läge, Mechtild
Published in Organometallics (01.07.2002)
Published in Organometallics (01.07.2002)
Get full text
Journal Article
Drug Solubility and Reaction Thermodynamics
Wichmann, Karin, Klamt, Andreas
Published in Chemical Engineering in the Pharmaceutical Industry (29.11.2010)
Published in Chemical Engineering in the Pharmaceutical Industry (29.11.2010)
Get full text
Book Chapter