List of works by Christophe Morell

*H atom and *OH radical reactions with 5-methylcytosine

scientific article published on 28 August 2007

A conceptual DFT study of hydrazino peptides: Assessment of the nucleophilicity of the nitrogen atoms by means of the dual descriptor Δf(r)

A relation between different scales of electrophilicity: are the scales consistent along a chemical reaction?

scientific article published on 25 June 2012

A statistical thermodynamics view of electron density polarisation: application to chemical selectivity

scientific article published on 19 October 2020

Acute aquatic toxicity of organic solvents modeled by QSARs.

scientific article

Application of the electron density force to chemical reactivity

scientific article published on 18 April 2011

Characterization of the Chemical Behavior of the Low Excited States through a Local Chemical Potential.

scientific article published in September 2009

Chemical reactivity descriptors for ambiphilic reagents: dual descriptor, local hypersoftness, and electrostatic potential

scientific article published on 01 July 2009

Combined QTAIM and ETS-NOCV investigation of the interactions in ClM[PhB(NBu)] complexes with M = Si & Ge (n = 0), As & Sb (n = 1), Te & Po (n = 2)

scientific article published on 29 October 2018

Comment on "Revisiting the definition of local hardness and hardness kernel" by C. A. Polanco-Ramirez, M. Franco-Pérez, J. Carmona-Espíndola, J. L. Gázquez and P. W. Ayers, Phys. Chem. Chem. Phys., 2017, 19, 12355.

scientific article published on 15 March 2018

Conceptual DFT analysis of the regioselectivity of 1,3-dipolar cycloadditions: nitrones as a case of study

scientific article published on 22 July 2017

Conformational polymorphism or structural invariance in DNA photoinduced lesions: implications for repair rates

scientific article

Correlation of bistranded clustered abasic DNA lesion processing with structural and dynamic DNA helix distortion

scientific article published on September 2016

DNA Photosensitization by an “Insider”: Photophysics and Triplet Energy Transfer of 5-Methyl-2-pyrimidone Deoxyribonucleoside

scientific article published on 01 July 2015

Deamination features of 5-hydroxymethylcytosine, a radical and enzymatic DNA oxidation product.

scientific article

Dual descriptor and molecular electrostatic potential: complementary tools for the study of the coordination chemistry of ambiphilic ligands

scientific article published on 23 June 2014

Evidencing under-barrier phenomena in a Yb(<scp>iii</scp>) SMM: a joint luminescence/neutron diffraction/SQUID study

scientific article published on 10 September 2019

Fluorine substituent effect on the stereochemistry of catalyzed and non-catalyzed Diels-Alder reactions. The case of R-butenone with cyclopentadiene: a computational assessment of the mechanism

scientific article published on 01 June 2018

Hydrolytic deamination of 5,6-dihydrocytosine in a protic medium: a theoretical study.

scientific article published in February 2010

Hydrolytic deamination of 5-methylcytosine in protic medium--a theoretical study.

scientific article published in March 2009

Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process.

scientific article published on 21 August 2017

Interstrand cross-linking implies contrasting structural consequences for DNA: insights from molecular dynamics

scientific article

Investigation of electron density changes at the onset of a chemical reaction using the state-specific dual descriptor from conceptual density functional theory

scientific article published on 11 March 2015

Is an elementary reaction step really elementary? Theoretical decomposition of asynchronous concerted mechanisms.

scientific article published on 12 March 2010

Is hyper-hardness more chemically relevant than expected?

scientific article published on 12 March 2013

Mechanism of nitric oxide induced deamination of cytosine.

scientific article

Minimum electrophilicity principle: an analysis based upon the variation of both chemical potential and absolute hardness

scientific article published on 26 February 2009

Molecular Dynamics Insights into Polyamine-DNA Binding Modes: Implications for Cross-Link Selectivity.

scientific article published on 16 August 2017

New dual descriptor for chemical reactivity

scientific article

Probing the reactivity of singlet oxygen with purines

scientific article

Proton Migration in Clusters Consisting of Protonated Pyridine Solvated by Water Molecules

scientific article published on 02 September 2015

Quantifying electro/nucleophilicity by partitioning the dual descriptor

scientific article published on 3 February 2015

Radiation-induced formation of DNA intrastrand crosslinks between thymine and adenine bases: A theoretical approach

scientific article published on 29 September 2006

Rationalization of Diels-Alder reactions through the use of the dual reactivity descriptor Deltaf(r)

scientific article published on 23 October 2008

Repair Rate of Clustered Abasic DNA Lesions by Human Endonuclease: Molecular Bases of Sequence Specificity.

scientific article published on 9 September 2016

Revisiting electroaccepting and electrodonating powers: proposals for local electrophilicity and local nucleophilicity descriptors

scientific article published on 01 December 2014

Singlet Oxygen Attack on Guanine: Reactivity and Structural Signature within the B-DNA Helix.

scientific article published on 21 July 2016

Solvent database and in silico classification: A new methodology for solvent substitution and its application for microencapsulation process.

scientific article published in June 2016

Structural effects in octahedral carbonyl complexes: an atoms-in-molecules study

Towards the first theoretical scale of the trans effect in octahedral complexes

scientific article published on 01 January 2016

UV-induced formation of the thymine–thymine pyrimidine (6-4) pyrimidone photoproduct – a DFT study of the oxetane intermediate ring opening

article

Understanding Chemical Selectivity through Well Selected Excited States

scientific article published on 21 January 2020

Understanding the Woodward–Hoffmann Rules by Using Changes in Electron Density

scientific article (publication date: 5 October 2007)

Unexpected Structure of a Helical N4 -Schiff-Base Zn(II) Complex and Its Demetallation: Experimental and Theoretical Studies

scientific article published on 20 September 2018

Use of the dual potential to rationalize the occurrence of some DNA lesions (pyrimidic dimers).

scientific article published on 21 June 2011

Wetting the lock and key enthalpically favours polyelectrolyte binding

scientific article published on 08 October 2018

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