About: Christophe Morell

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An Entity of Type : foaf:Person, within Data Space : data.idref.fr associated with source document(s)

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type	Person
sameAs	Morell, Christophe (1969-.... ; auteur en chimie-biologie) Morell, Christophe (1969-.... ; auteur en chimie-biologie) Morell, Christophe (1969-.... ; auteur en chimie-biologie) Morell, Christophe (1969-.... ; auteur en chimie-biologie)
Life Event	http://www.idref.fr/118913484/birth
bnf-onto:FRBNF	15798413(xsd:integer)
preferred label	Morell, Christophe (1969-.... ; auteur en chimie-biologie)
name	Christophe Morell
dbpedia-owl:citizenship	http://sws.geonames.org/3017382/
Language	http://lexvo.org/id/iso639-3/fra
isni:identifierValid	0000000383416716
Given name	Christophe
familyName	Morell
has biographical i...tion (Deprecated)	Professeur en chimie théorique à l'Université Claude Bernard à Lyon 1. Président de jury d'une thèse en Sciences chimiques. Chimie théorique à Aix-Marseille en 2019 Titulaire d'un doctorat de l'Université Joseph Fourier de Grenoble, spécialité \" Chimie et science du vivant \"
gender	male
ORCID iD	0000-0002-6321-8723
Scopus ID	6603853098
is sameAs of	Morell, Christophe (1969-.... ; auteur en chimie-biologie) Morell, Christophe (1969-.... ; auteur en chimie-biologie)
is Thesis advisor of	http://www.sudoc.fr/198591012/id http://www.sudoc.fr/203953959/id http://www.sudoc.fr/233167382/id AIMGRID2 : a new electron density topological analysis software for atomic and molecular properties Mise au point de nouveaux descripteurs théoriques pour la réactivité chimique http://www.sudoc.fr/265287626/id
is Praeses of	http://www.sudoc.fr/198276915/id http://www.sudoc.fr/221472460/id http://www.sudoc.fr/17924485X/id http://www.sudoc.fr/182633195/id http://www.sudoc.fr/17629399X/id http://www.sudoc.fr/240550447/id http://www.sudoc.fr/258312483/id http://www.sudoc.fr/250892936/id http://www.sudoc.fr/258955627/id http://www.sudoc.fr/260112194/id http://www.sudoc.fr/241979870/id http://www.sudoc.fr/273752545/id http://www.sudoc.fr/268135142/id http://www.sudoc.fr/271183144/id http://www.sudoc.fr/282415912/id
is Author of	http://www.sudoc.fr/118913506/id Un nouveau descripteur de la réactivité chimique, étude théorique et applications à la sélectivité de quelques réactions chimiques Quantifying electro/nucleophilicity by partitioning the dual descriptor Atomic electronegativities in molecules Singlet Oxygen Attack on Guanine: Reactivity and Structural Signature within the B-DNA Helix Wetting the lock and key enthalpically favours polyelectrolyte binding Characterization of the Chemical Reactivity and Selectivity of DNA Bases Through the Use of DFT-Based Descriptors A statistical thermodynamics view of electron density polarisation: application to chemical selectivity Does the gradient-regulated connection improve the description of correlated metal bond properties? A computational investigation of the selectivity and mechanism of the Lewis acid catalyzed oxa‐Diels–Alder cycloaddition of substituted diene with benzaldehyde A Dynamic View of the Interaction of Histone Tails with Clustered Abasic Sites in a Nucleosome Core Particle Conceptual DFT and Excited States Coordination Chemistry of Zn2+ with Sal(ph)en Ligands: Tetrahedral Coordination or Penta Coordination? A DFT Analysis Probing Interstand CrossLinks Impact on DNA Structure by Classical Molecular Dynamics Simulations Characterization of the Chemical Behavior of the Low Excited States through a Local Chemical Potential Understanding the intermolecular Diels–Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory viewpoints Understanding Chemical Selectivity through well-chosen excited states Polarisation of Electron Density and Electronic Effects: Revisiting the Carbon–Halogen Bonds Ill-advised self-interaction contribution in modelling anionic attack along a reaction path Conceptual density functional theory: status, prospects, issues Probing the reactivity of singlet oxygen with purines Understanding Chemical Selectivity through Well Selected Excited States MODELLING THE INTERSTRAND CROSS-LINKS IMPACT ON DNA STRUCTURE Repair Rate of Clustered Abasic DNA Lesions by Human Endonuclease: Molecular Bases of Sequence Specificity Molecular Dynamics Insights into Polyamine-DNA Binding Modes: Implications for Cross-Link Selectivity Theoretical Study of the Internal Rotation of the Hydroxylic Group of the Enol Form ofGuanine Dual descriptor and molecular electrostatic potential: complementary tools for the study of the coordination chemistry of ambiphilic ligands. Electron Paramagnetic Resonance Tracing of Electronic Transfers in Push-Pull Copolymers/PCBM or Nanocrystal Composites Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process Towards the first theoretical scale of the trans effect in octahedral complexes New Alternating Copolymers of 3,6-Carbazoles and Dithienylbenzothiadiazoles: Synthesis, Characterization, and Application in Photovoltaics Solvent database and in silico classification: A new methodology for solvent substitution and its application for microencapsulation process. Klopman-Salem Model: has de density polarization energy been overlooked? Combined QTAIM and ETS-NOCV investigation of the interactions in ClnM[PhB(NtBu)2] complexes with M = Si & Ge (n = 0), As & Sb (n = 1), Te & Po (n = 2) Predicted structure and selectivity of 3d transition metal complexes with glutamic N , N -bis(carboxymethyl) acid https://hal.archives-ouvertes.fr/hal-04245769#id Use of the dual potential to rationalize the occurrence of some DNA lesions (pyrimidic dimers). UV-induced formation of the thymine-thymine pyrimidine (6-4) pyrimidone photoproduct - a DFT study of the oxetane intermediate ring opening Application of the electron density force to chemical reactivity. http://www.sudoc.fr/226492729/id Acute aquatic toxicity of organic solvents modeled by QSARs. Interstrand cross-linking implies contrasting structural consequences for DNA: insights from molecular dynamics DFT study of the stereo-selectivity of oxygenated heterocycles from 10 to 12 links Minimum electrophilicity principle: an analysis based upon the variation of both chemical potential and absolute hardness Molecular Interactions From the Density Functional Theory for Chemical Reactivity: The Interaction Energy Between Two-Reagents Insights into the chemical meanings of the reaction electronic flux New Dual Descriptor for Chemical Reactivity Teaching an old molecule new tricks Evidence and rationalisation of the slow magnetisation dynamics in [DyTp2Acac] Modelling the structure and triplet-triplet energy transfer of the 6-4 photoproduct Structural effects in octahedral carbonyl complexes: an atoms-in-molecules study Investigation of electron density changes at the onset of a chemical reaction using the state-specific dual descriptor from conceptual density functional theory Conceptual DFT analysis of the regioselectivity of 1,3-dipolar cycloadditions: nitrones as a case of study Coordination chemistry of Zn2+ with Sal(ph)en ligands: Tetrahedral coordination or penta-coordination? a DFT analysis Molecular Interactions from the Density Functional Theory for Chemical Reactivity: Interaction Chemical Potential, Hardness, and Reactivity Principles Relaxation of Kohn-Sham orbitals of organometallic complexes during the approach of a nucleophilic reactant (or an electron approach): the case of [sal(ph)en](2) Zn complexes 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 http://www.sudoc.fr/128611618/id Evidencing under-barrier phenomena in a Yb( iii ) SMM: a joint luminescence/neutron diffraction/SQUID study

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