Lande, Aurélien de la, 1979-...., chimiste
![Sudoc [ABES], France](/viaf/images/flags/SUDOC.png "Sudoc [ABES], France")
Aurélien de la Lande researcher
La Lande de Vallière, Aurélien 1979-...
VIAF ID: 207218068 (Personal)
Permalink: http://viaf.org/viaf/207218068
Preferred Forms
4xx's: Alternate Name Forms (7)
Works
| Title | Sources |
|---|---|
| Ab Initio Stopping Power Simulations for Ions with Electrons in Matter |
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| AMOEBA Polarizable Force Field Parameters of the Heme Cofactor in Its Ferrous and Ferric Forms. |
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| Applications of the ELF and QTAIM topological analyses in a 2 components quasirelativistic context. |
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| Contribution to the Development of Advanced Approaches for Electron and Molecular Dynamics Simulations in Extended Biomolecules |
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| Développement de méthodes mathématiques pour l'analyse de trajectoires conformationnelles en dynamique moléculaire |
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| Développement d'une approche multiéchelle pour l'étude des propriétés structurales et des réactivités d'assemblages complexes de biopolymères : les gels d'alginates |
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| Directional control and supramolecular protection allowing the chemo- and regioselective transformation of a triamine. |
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| The dramatic effect of N-methylimidazole on trans axial ligand binding to ferric heme: experiment and theory |
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| Exploration of energetic landscapes and nuclear quantum effects : a Parallel-Tempering Path-Integral Molecular Dynamics approach. |
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| Following the density evolution using real time density functional theory and density based indexes: Application to model push–pull molecules |
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| Gating the electron transfer at a monocopper centre through the supramolecular coordination of water molecules within a protein chamber mimic |
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| Interplay between a biomolecule and its environment : from hydration dynamics to enzyme catalysis. |
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| Investigation of the hydroxylation mechanism of noncoupled copper oxygenases by ab initio molecular dynamics simulations. |
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| Long distance electron-transfer mechanism in peptidylglycine alpha-hydroxylating monooxygenase: a perfect fitting for a water bridge |
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| Modélisation multiéchelle de monooxygénases à centres cuivreux non couplés : de l'activation du dioxygène au transfert électronique à longue distance |
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| Modélisation quantique de la réduction de précurseurs de cobalt et de cuivre en vue de la formation de nanoparticules métalliques |
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| Molecular recognition and self-assembly special feature: Multipoint molecular recognition within a calix[6]arene funnel complex. |
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| Multicomponent density functional theory with density fitting |
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| Multiscale approaches to help clarify mechanisms of activation/inhibition for important biological systems |
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| Numerical simulation of ultrafast response of biological molecules subjected to light fast ions and XUV pulses |
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| The physical stage of radiolysis of solvated DNA by high-energy-transfer particles: insights from new first principles simulations |
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| Polarizable force fields developmen : towards SIBFA molecular dynamics. |
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| Quantum Chemical Topology of the Electron Localization Function in the Field of Attosecond Electron Dynamics. |
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| Quantum modeling of the reduction step of cobalt and copper precursors for metallic nanoparticles synthesis. |
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| Radiolyse par les rayons X-mous de l'eau et des biomolécules : expériences et simulations. |
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| Relativistic range-separated density functional theory. |
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| Simulating Electron Dynamics in Polarizable Environments |
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| Simulations ab initio du pouvoir d'arrêt pour les ions contenant des électrons dans les matières. |
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| Simulations moléculaires aux temps courts de l'irradiation ionisante de solutions d'extractant du plutonium |
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| Simulations numériques des réponses ultra-rapides de molécules biologiques soumises à des ions légers rapides et à des impulsions UV extreme. |
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| Soft X-ray Radiolysis of Water and Biomolecules : Insights from Experiments and Simulations |
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| Study of the ultrafast electronic dynamics following ionization of Caffeine molecule with the TD-DFTB method. |
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| Theoretical modelling of tripodal CuN3 and CuN4 cuprous complexes interacting with O2, CO or CH3CN |
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| Theoretical study of the decomposition mechanism of alkylperoxyl spin adducts based on pyrroline-N-oxide spin traps. |
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| Une théorie de la fonctionnelle de la densité moléculaire pour l'étude de réactions de transfert d'électrons dans des systèmes réalistes |
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| Ultrafast flavin photoreduction in an oxidized animal (6-4) photolyase through an unconventional tryptophan tetrad. |
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| Ultrafast processes in highly-excited molecules : from model neutral systems to complex molecular ions. |
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| Water binding to FeIII hemes studied in a cooled ion trap: characterization of a strong 'weak' ligand |
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