Clémence Corminbœuf
- Simultaneous Visualization of Covalent and Noncovalent Interactions Using Regions of Density Overlap
2014/06/30 by Piotr de Silva, Clémence Corminbœuf · 2 citations
Materials Science · Chemistry · Computer Science · #Machine Learning in Materials Science #Crystallography and molecular interactions #Computational Drug Discovery Methods
- Myriad Planar Hexacoordinate Carbon Molecules Inviting Synthesis
2007/01/20 by Keigo Ito, Zhongfang Chen, Clémence Corminbœuf +4 · 2 citations
Chemistry · Medicine · #Boron Compounds in Chemistry #Organoboron and organosilicon chemistry #Synthesis and Properties of Aromatic Compounds
- Electron density learning of non-covalent systems
2019/01/01 by Alberto Fabrizio, Andrea Grisafi, Benjamin Meyer +2 · 2 citations
Chemistry · Materials Science · Physics and Astronomy · #Crystallography and molecular interactions #Machine Learning in Materials Science #Advanced Chemical Physics Studies
- Linear scaling relationships and volcano plots in homogeneous catalysis – revisiting the Suzuki reaction
2015/01/01 by Michael Busch, Matthew D. Wodrich, Clémence Corminbœuf · 2 citations
Engineering · Chemistry · #Surface Chemistry and Catalysis #Asymmetric Hydrogenation and Catalysis #Molecular spectroscopy and chirality
- Unexpected Deacetylation Mechanism Suggested by a Density Functional Theory QM/MM Study of Histone-Deacetylase-Like Protein
2006/03/21 by Clémence Corminbœuf, Po Hu, Mark E. Tuckerman +1 · 1 citation
Biochemistry, Genetics and Molecular Biology · Medicine · #Histone Deacetylase Inhibitors Research #Peptidase Inhibition and Analysis #Protein Degradation and Inhibitors
- A Generalized Picture of C–C Cross-Coupling
2017/07/17 by Michael Busch, Matthew D. Wodrich, Clémence Corminbœuf · 1 citation
Chemistry · #Catalytic Cross-Coupling Reactions #Catalytic C–H Functionalization Methods #Cyclopropane Reaction Mechanisms
- Inverse Design of Singlet‐Fission Materials with Uncertainty‐Controlled Genetic Optimization
2024/09/25 by Luca Schaufelberger, J. Terence Blaskovits, Rubén Laplaza +2 · 1 voice · 1 citation
Engineering · Materials Science · #Perovskite Materials and Applications #Machine Learning in Materials Science #Quantum Dots Synthesis And Properties