Gerber Iann
Gerber Iann
LPCNO, Université de Toulouse, INSA Toulouse-CNRS-UPS
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Screened hybrid density functionals applied to solids
J Paier, M Marsman, K Hummer, G Kresse, IC Gerber, JG Ángyán
The Journal of chemical physics 124 (15), 154709, 2006
Giant Enhancement of the Optical Second-Harmonic Emission of Monolayers by Laser Excitation at Exciton Resonances
G Wang, X Marie, I Gerber, T Amand, D Lagarde, L Bouet, M Vidal, ...
Physical review letters 114 (9), 097403, 2015
van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections
JG Angyán, IC Gerber, A Savin, J Toulouse
Physical Review A 72 (1), 012510, 2005
Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation
J Toulouse, IC Gerber, G Jansen, A Savin, JG Angyán
Physical review letters 102 (9), 096404, 2009
Hybrid functional with separated range
IC Gerber, JG Angyán
Chemical physics letters 415 (1-3), 100-105, 2005
Splitting between bright and dark excitons in transition metal dichalcogenide monolayers
JP Echeverry, B Urbaszek, T Amand, X Marie, IC Gerber
Physical Review B 93 (12), 121107, 2016
Spin-orbit engineering in transition metal dichalcogenide alloy monolayers
G Wang, C Robert, A Suslu, B Chen, S Yang, S Alamdari, IC Gerber, ...
Nature communications 6 (1), 1-7, 2015
Range separated hybrid density functional with long-range Hartree-Fock exchange applied to solids
IC Gerber, JG Ángyán, M Marsman, G Kresse
The Journal of chemical physics 127 (5), 054101, 2007
London dispersion forces by range-separated hybrid density functional with second order perturbational corrections: The case of rare gas complexes
IC Gerber, JG Ángyán
The Journal of chemical physics 126 (4), 044103, 2007
Influence of particles alloying on the performances of Pt–Ru/CNT catalysts for selective hydrogenation
J Teddy, A Falqui, A Corrias, D Carta, P Lecante, I Gerber, P Serp
Journal of Catalysis 278 (1), 59-70, 2011
Theoretical and Experimental Studies on the Carbon‐Nanotube Surface Oxidation by Nitric Acid: Interplay between Functionalization and Vacancy Enlargement
I Gerber, M Oubenali, R Bacsa, J Durand, A Gonçalves, MFR Pereira, ...
Chemistry–A European Journal 17 (41), 11467-11477, 2011
Theoretical study of the interaction of electron donor and acceptor molecules with graphene
T Hu, IC Gerber
The Journal of Physical Chemistry C 117 (5), 2411-2420, 2013
Dimeric gold bis (carbene) complexes by transmetalation in water
J Cure, R Poteau, IC Gerber, H Gornitzka, C Hemmert
Organometallics 31 (2), 619-626, 2012
Exciton states in monolayer MoSe2: impact on interband transitions
G Wang, IC Gerber, L Bouet, D Lagarde, A Balocchi, M Vidal, T Amand, ...
2D Materials 2 (4), 045005, 2015
Potential curves for alkaline-earth dimers by density functional theory with long-range correlation corrections
IC Gerber, JG Angyán
Chemical physics letters 416 (4-6), 370-375, 2005
Understanding the surface chemistry of carbon nanotubes: Toward a rational design of Ru nanocatalysts
BF Machado, M Oubenali, MR Axet, TT Nguyen, M Tunckol, M Girleanu, ...
Journal of catalysis 309, 185-198, 2014
A theory/experience description of support effects in carbon-supported catalysts
IC Gerber, P Serp
Chemical reviews 120 (2), 1250-1349, 2019
Controlled and Chemoselective Hydrogenation of Nitrobenzene over Ru@C60 Catalysts
F Leng, IC Gerber, P Lecante, S Moldovan, M Girleanu, MR Axet, P Serp
ACS Catalysis 6 (9), 6018-6024, 2016
Excitonic properties of semiconducting monolayer and bilayer
C Robert, R Picard, D Lagarde, G Wang, JP Echeverry, F Cadiz, ...
Physical Review B 94 (15), 155425, 2016
A first-principles study on magnetic coupling between carbon adatoms on graphene
IC Gerber, AV Krasheninnikov, AS Foster, RM Nieminen
New Journal of Physics 12 (11), 113021, 2010
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