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List of works by Céline Dupont

Addressing the competitive formation of tandem DNA lesions by a nucleobase peroxyl radical: a DFT-D screening

scientific article published on 01 May 2013

Deep HDS of FCC gasoline over alumina supported CoMoS catalyst: Inhibiting effects of carbon monoxide and water

Deoxygenation mechanisms on Ni-promoted MoS2 bulk catalysts: A combined experimental and theoretical study

Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations

scientific article published on 22 October 2019

Hydrodeoxygenation pathways catalyzed by MoS2 and NiMoS active phases: A DFT study

Impact of CO on the transformation of a model FCC gasoline over CoMoS/Al2O3 catalysts: A combined kinetic and DFT approach

Improved DFT Description of Intrastrand Cross-Link Formation by Inclusion of London Dispersion Corrections

scientific article published on 22 November 2011

Promoter Effect of Early Stage Grown Surface Oxides: A Near-Ambient-Pressure XPS Study of CO Oxidation on PtSn Bimetallics.

scientific article published on 3 December 2012

Restructuring of the Pt3Sn(111) surfaces induced by atomic and molecular oxygen from first principles

scientific article published on 01 March 2009

Self-consistent continuum solvation (SCCS): the case of charged systems.

scientific article published in December 2013

Superior Performance of Range-Separated Hybrid Functionals for Describing σ* ← σ UV–Vis Signatures of Three-Electron Two-Center Anions ⬇️

scientific article published on March 14, 2012

The nature of the Pt(111)/α-Fe2O3(0001) interfaces revealed by DFT calculations

scientific article published on 01 May 2018

Theoretical evidence of PtSn alloy efficiency for CO oxidation

scientific article published on 01 July 2006

Theoretical investigation of the platinum substrate influence on BaTiO3 thin film polarisation

scientific article published on 01 February 2019

What singles out the G[8-5]C intrastrand DNA cross-link? Mechanistic and structural insights from quantum mechanics/molecular mechanics simulations.

scientific article published on 2 January 2013

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