Clémence Corminbœuf
Corminboeuf, Anne-Clémence
Corminboeuf, Clémence, 1977-....
![Sudoc [ABES], France](/viaf/images/flags/SUDOC.png "Sudoc [ABES], France")
VIAF ID: 48151246522744131483 (Personal)
Permalink: http://viaf.org/viaf/48151246522744131483
Preferred Forms
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100 0 _
‡a
Clémence Corminbœuf
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100 1 _
‡a
Corminboeuf, Anne-Clémence
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100 1 _ ‡a Corminboeuf, Anne-Clémence
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100 1 _
‡a
Corminboeuf, Clémence,
‡d
1977-....
4xx's: Alternate Name Forms (11)
5xx's: Related Names (1)
Works
| Title | Sources |
|---|---|
| [CpRu((R)-Binop-F)(H2O)][SbF6], a new fluxional chiral Lewis acid catalyst: synthesis, dynamic nmr, asymmetric catalysis, and theoretical studies |
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| Développement de la méthode NCI : optimisation et visualisation à haute performance. |
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| Efficiency of random search procedures along the silicon cluster series: Si(n) (n=5-10, 15, and 20). |
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| Inside Cover: Mapping Active Site Geometry to Activity in Immobilized Frustrated Lewis Pair Catalysts (Angew. Chem. Int. Ed. 32/2022) |
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| Insights into Reaction Intermediates to Predict Synthetic Pathways for Shape-Controlled Metal Nanocrystals |
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| Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction. |
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| Is C60 buckminsterfullerene aromatic? |
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| Learning on-top: Regressing the on-top pair density for real-space visualization of electron correlation |
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| Ligand-controlled regiodivergent pathways of rhodium(III)-catalyzed dihydroisoquinolone synthesis: experimental and computational studies of different cyclopentadienyl ligands. |
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| Linear scaling relationships and volcano plots in homogeneous catalysis - revisiting the Suzuki reaction |
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| Local hybrid functionals with orbital-free mixing functions and balanced elimination of self-interaction error |
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| Local Kernel Regression and Neural Network Approaches to the Conformational Landscapes of Oligopeptides |
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| Low-Lying ππ* States of Heteroaromatic Molecules: A Challenge for Excited State Methods |
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| Machine learning meets volcano plots: computational discovery of cross-coupling catalysts |
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| Machine learning models of the energy curvature vs particle number for optimal tuning of long-range corrected functionals |
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| The Magnetic Shielding Function of Molecules and Pi-Electron Delocalization |
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| Mechanisms of fluorescence quenching in prototypical aggregation-induced emission systems: excited state dynamics with TD-DFTB |
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| Minimizing density functional failures for non-covalent interactions beyond van der Waals complexes |
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| Modèles de liaison semi-quantitatives en partant de la topologie chimique quantique. |
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| Molecular Design and Operational Stability: Toward Stable 3D/2D Perovskite Interlayers |
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| Multiarm and Substituent Effects on Charge Transport of Organic Hole Transport Materials |
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| Myriad Planar Hexacoordinate Carbon Molecules Inviting Synthesis |
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| Neutral Aminyl Radicals Derived from Azoimidazolium Dyes |
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| Nickel pincer model of the active site of lactate racemase involves ligand participation in hydride transfer |
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| Noncovalent Molecular Electronics |
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| The norbornene mystery revealed |
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| Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion |
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| Octahedral and tetrahedral coinage metal clusters: is three-dimensional d-orbital aromaticity viable? |
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| On the Generality of Molecular Volcano Plots |
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| On the viability of heterolytic peptide N-C(α) bond cleavage in electron capture and transfer dissociation mass spectrometry |
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| Open-Shell Nonbenzenoid Nanographenes Containing Two Pairs of Pentagonal and Heptagonal Rings |
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| Optical absorption properties of metal-organic frameworks: solid state versus molecular perspective |
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| Optical gap and fundamental gap of oligoynes and carbyne |
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| Overcoming systematic DFT errors for hydrocarbon reaction energies |
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| Oxygen and proton reduction by decamethylferrocene in non-aqueous acidic media |
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| Oxygen reduction catalyzed by a fluorinated tetraphenylporphyrin free base at liquid/liquid interfaces |
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| Perspective: Found in translation: Quantum chemical tools for grasping non-covalent interactions |
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| Phosphoramidite ligands in iridium-catalyzed allylic substitution |
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| Photochemistry of 1- and 2-Naphthols and Their Water Clusters: The Role of 1 ππ*(La ) Mediated Hydrogen Transfer to Carbon Atoms. |
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| Photochromic Torsional Switch (PTS): a light-driven actuator for the dynamic tuning of π-conjugation extension |
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| Photoproduction of Hydrogen by Decamethylruthenocene Combined with Electrochemical Recycling |
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| Ping-pong protons: how hydrogen-bonding networks facilitate heterolytic bond cleavage in peptide radical cations. |
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| Planar tetracoordinate carbon atoms centered in bare four-membered rings of late transition metals |
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| Probing Substrate Scope with Molecular Volcanoes |
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| Proton Magnetic Shielding Tensors in Benzene—From the Individual Molecule to the Crystal |
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| The proton nuclear magnetic shielding tensors in biphenyl: experiment and theory |
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| Qualitatively Incorrect Features in the TDDFT Spectrum of Thiophene-Based Compounds. |
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| Quantification and analysis of intramolecular interactions |
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| Quantification of "fuzzy" chemical concepts: a computational perspective |
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| Quantifying intra- and intermolecular phenomena: challenging yet exciting territory for quantum chemistry |
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| Quantum chemical calculations of NMR parameters and conformational study of organometallic compounds |
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| Quantum Chemistry Meets Machine Learning |
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| Rationalizing fluorescence quenching in meso-BODIPY dyes |
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| Reaction Enthalpies Using the Neural-Network-Based X1 Approach: The Important Choice of Input Descriptors |
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| Read between the Molecules: Computational Insights into Organic Semiconductors |
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| Reply to “Comment on ‘Accurate Thermochemistry of Hydrocarbon Radicals via an Extended Generalized Bond Separation Reaction Scheme’” |
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| Restriction Enzyme Analysis of Double-Stranded DNA on Pristine Single-Walled Carbon Nanotubes |
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| The role of bridging ligands in dinitrogen reduction and functionalization by uranium multimetallic complexes |
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| Role of π-acceptor effects in controlling the lability of novel monofunctional Pt(II) and Pd(II) complexes: crystal structure of [Pt(tripyridinedimethane)Cl]Cl |
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| Salt-induced thermochromism of a conjugated polyelectrolyte. |
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| Semiquantitative bond models from quantum chemical topology |
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| Simulating solvation and acidity in complex mixtures with first-principles accuracy: the case of CH3SO3H and H2O2 in phenol |
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| Simultaneous Visualization of Covalent and Noncovalent Interactions Using Regions of Density Overlap. |
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| SPA<sup>H</sup>M: the spectrum of approximated Hamiltonian matrices representations |
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| Steric "attraction": not by dispersion alone |
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| Structural trends in transition metal cation-acetylene complexes revealed through the C-H stretching fundamentals |
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| Structure-correlation principles connecting ground state properties and reaction barrier heights for the Cope rearrangement of semibullvalenes. |
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| Structure determination of slowly exchanging conformers in solution using high-resolution NMR, computational modeling and DFT-GIAO chemical shielding: application to an erythronolide A derivative. |
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| Structure-Property Relationships in Bithiophenes with Hydrogen-Bonded Substituents |
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| Synthesis of aminyl biradicals by base-induced Csp3-Csp3 coupling of cationic azo dyes |
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| A System-Dependent Density-Based Dispersion Correction |
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| Systematic Errors in Computed Alkane Energies Using B3LYP and Other Popular DFT Functionals |
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| Theoretical Analysis of the Smallest Carbon Cluster Containing a Planar Tetracoordinate Carbon |
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| Theory and practice of uncommon molecular electronic configurations |
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| Topology-Driven Single-Molecule Conductance of Carbon Nanothreads |
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| Toward functional type III [Fe]-hydrogenase biomimics for H2 activation: insights from computation |
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| A Transferable Machine-Learning Model of the Electron Density |
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| Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands |
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| Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain |
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| An Unconventional Iron Nickel Catalyst for the Oxygen Evolution Reaction |
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| Unexpected deacetylation mechanism suggested by a density functional theory QM/MM study of histone-deacetylase-like protein |
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| Unified Inter- and Intramolecular Dispersion Correction Formula for Generalized Gradient Approximation Density Functional Theory |
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| Unraveling Metal/Pincer Ligand Effects in the Catalytic Hydrogenation of Carbon Dioxide to Formate |
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| Visualizing and Quantifying Interactions in the Excited State |
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| What governs nitrogen configuration in substituted aminophosphines? |
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| Which NICS aromaticity index for planar pi rings is best? |
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| Why Are |
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| Why Are (NN2)Ni Pincer Complexes Active for Alkyl−Alkyl Coupling: β-H Elimination Is Kinetically Accessible but Thermodynamically Uphill |
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| Why are the Interaction Energies of Charge-Transfer Complexes Challenging for DFT? |
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| π-Depletion as a criterion to predict π-stacking ability |
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| সম্পাদকীয় |
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