Clemence Corminboeuf
Clemence Corminboeuf
Professor of Chemistry, EPFL
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Nucleus-independent chemical shifts (NICS) as an aromaticity criterion
Z Chen, CS Wannere, C Corminboeuf, R Puchta, PR Schleyer
Chemical reviews 105 (10), 3842-3888, 2005
Which NICS aromaticity index for planar π rings is best?
H Fallah-Bagher-Shaidaei, CS Wannere, C Corminboeuf, R Puchta, ...
Organic Letters 8 (5), 863-866, 2006
Induced magnetic fields in aromatic [n]-annulenes—interpretation of NICS tensor components
C Corminboeuf, T Heine, G Seifert, P von Ragué Schleyer, J Weber
Physical Chemistry Chemical Physics 6 (2), 273-276, 2004
Systematic errors in computed alkane energies using B3LYP and other popular DFT functionals
MD Wodrich, C Corminboeuf, PR Schleyer
Organic letters 8 (17), 3631-3634, 2006
Comprehensive benchmarking of a density-dependent dispersion correction
SN Steinmann, C Corminboeuf
Journal of chemical theory and computation 7 (11), 3567-3577, 2011
How accurate are DFT treatments of organic energies?
MD Wodrich, C Corminboeuf, PR Schreiner, AA Fokin, PR Schleyer
Organic letters 9 (10), 1851-1854, 2007
A generalized-gradient approximation exchange hole model for dispersion coefficients
SN Steinmann, C Corminboeuf
The Journal of chemical physics 134 (4), 044117, 2011
An unconventional iron nickel catalyst for the oxygen evolution reaction
F Song, MM Busch, B Lassalle-Kaiser, CS Hsu, E Petkucheva, ...
ACS central science 5 (3), 558-568, 2019
Phosphoramidite Ligands in Iridium‐Catalyzed Allylic Substitution
D Polet, A Alexakis, K Tissot‐Croset, C Corminboeuf, K Ditrich
Chemistry–A European Journal 12 (13), 3596-3609, 2006
i-PI 2.0: A universal force engine for advanced molecular simulations
V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ...
Computer Physics Communications 236, 214-223, 2019
Transferable machine-learning model of the electron density
A Grisafi, A Fabrizio, B Meyer, DM Wilkins, C Corminboeuf, M Ceriotti
ACS Central Science 5 (1), 57-64, 2018
The magnetic shielding function of molecules and Pi-electron delocalization
T Heine, C Corminboeuf, G Seifert
Chemical reviews 105 (10), 3889-3910, 2005
Why are the interaction energies of charge-transfer complexes challenging for DFT?
SN Steinmann, C Piemontesi, A Delachat, C Corminboeuf
Journal of Chemical Theory and Computation 8 (5), 1629-1640, 2012
Simultaneous visualization of covalent and noncovalent interactions using regions of density overlap
P De Silva, C Corminboeuf
Journal of chemical theory and computation 10 (9), 3745-3756, 2014
Evidence for d orbital aromaticity in square planar coinage metal clusters
CS Wannere, C Corminboeuf, ZX Wang, MD Wodrich, RB King, ...
Journal of the American Chemical Society 127 (15), 5701-5705, 2005
Analysis of aromatic delocalization: Individual molecular orbital contributions to nucleus-independent chemical shifts
T Heine, PR Schleyer, C Corminboeuf, G Seifert, R Reviakine, J Weber
The Journal of Physical Chemistry A 107 (33), 6470-6475, 2003
A system-dependent density-based dispersion correction
SN Steinmann, C Corminboeuf
Journal of chemical theory and computation 6 (7), 1990-2001, 2010
Machine learning meets volcano plots: computational discovery of cross-coupling catalysts
B Meyer, B Sawatlon, S Heinen, OA Von Lilienfeld, C Corminboeuf
Chemical science 9 (35), 7069-7077, 2018
Do all-metal antiaromatic clusters exist?
Z Chen, C Corminboeuf, T Heine, J Bohmann, PR Schleyer
Journal of the American Chemical Society 125 (46), 13930-13931, 2003
Fine-tuned organic photoredox catalysts for fragmentation-alkynylation cascades of cyclic oxime ethers
F Le Vaillant, M Garreau, S Nicolai, G Gryn'ova, C Corminboeuf, J Waser
Chemical Science 9 (27), 5883-5889, 2018
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