Clemence Corminboeuf
Clemence Corminboeuf
Professor of Chemistry, EPFL
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TitelZitiert vonJahr
Nucleus-independent chemical shifts (NICS) as an aromaticity criterion
Z Chen, CS Wannere, C Corminboeuf, R Puchta, PVR Schleyer
Chemical reviews 105 (10), 3842-3888, 2005
20042005
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
6442006
Induced magnetic fields in aromatic [n]-annulenes—interpretation of NICS tensor components
C Corminboeuf, T Heine, G Seifert, P von Rague Schleyer, J Weber
Physical Chemistry Chemical Physics 6 (2), 273-276, 2004
4062004
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
3782006
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
2752007
Comprehensive benchmarking of a density-dependent dispersion correction
SN Steinmann, C Corminboeuf
Journal of Chemical Theory and Computation 7 (11), 3567-3577, 2011
2262011
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
1902006
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
1522003
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
1482005
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
1452003
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
1432012
The magnetic shielding function of molecules and Pi-electron delocalization
T Heine, C Corminboeuf, G Seifert
Chemical reviews 105 (10), 3889-3910, 2005
1342005
A generalized-gradient approximation exchange hole model for dispersion coefficients
SN Steinmann, C Corminboeuf
The Journal of chemical physics 134 (4), 044117, 2011
1262011
A system-dependent density-based dispersion correction
SN Steinmann, C Corminboeuf
Journal of chemical theory and computation 6 (7), 1990-2001, 2010
1232010
Unexpected deacetylation mechanism suggested by a density functional theory QM/MM study of histone-deacetylase-like protein
C Corminboeuf, P Hu, ME Tuckerman, Y Zhang
Journal of the American Chemical Society 128 (14), 4530-4531, 2006
1072006
Theoretical analysis of the smallest carbon cluster containing a planar tetracoordinate carbon
G Merino, MA Méndez-Rojas, HI Beltrán, C Corminboeuf, T Heine, A Vela
Journal of the American Chemical Society 126 (49), 16160-16169, 2004
972004
Evaluation of aromaticity: A new dissected NICS model based on canonical orbitals
C Corminboeuf, T Heine, J Weber
Physical Chemistry Chemical Physics 5 (2), 246-251, 2003
912003
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
812014
Antiaromaticity in bare deltahedral silicon clusters satisfying Wade's and Hirsch's rules: an apparent correlation of antiaromaticity with high symmetry
RB King, T Heine, C Corminboeuf, PR Schleyer
Journal of the American Chemical Society 126 (2), 430-431, 2004
812004
Unified inter-and intramolecular dispersion correction formula for generalized gradient approximation density functional theory
SN Steinmann, G Csonka, C Corminboeuf
Journal of chemical theory and computation 5 (11), 2950-2958, 2009
802009
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