L. Castro

发表

Carbon monoxide activation via O-bound CO using decamethylscandocinium-hydridoborate ion pairs.

O. Eisenstein, L. Maron, W. Piers, 2012, Journal of the American Chemical Society.

Fe‐Based Complexes as Styrene Aziridination Catalysts: Ligand Substitution Tunes Catalyst Activity

P. Maldivi, S. Chardon-Noblat, M. Clémancey, 2019, ChemCatChem.

Experiments and DFT Computations Combine to Decipher Fe-Catalyzed Amidine Synthesis through Nitrene Transfer and Nitrile Insertion

P. Maldivi, F. Avenier, Ludovic Castro, 2021 .

Rational design of Fe catalysts for olefin aziridination through DFT-based mechanistic analysis

P. Maldivi, M. Clémancey, Ludovic Castro, 2017 .

A theoretical study of uranium(IV) bis-methyl complexes: towards the predictive formation of a transient uranium(IV) carbene complex.

L. Maron, Ludovic Castro, A. Yahia, 2010, Chemistry.

Selectivity in the C–H Activation Reaction of CH3OSO2CH3 with [1,2,4-(Me3C)3C5H2]2CeH or [1,2,4-(Me3C)3C5H2][1,2-(Me3C)2-4-(Me2CCH2)C5H2]Ce: To Choose or Not To Choose

O. Eisenstein, L. Maron, R. Andersen, 2012 .

New perspectives in organolanthanide chemistry from redox to bond metathesis: insights from theory.

L. Maron, L. Perrin, C. E. Kefalidis, 2016, Chemical Society reviews.

Theoretical Treatment of the Redox Chemistry of Low Valent Lanthanide and Actinide Complexes

L. Maron, L. Perrin, C. E. Kefalidis, 2015 .

Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide

O. Eisenstein, L. Maron, W. Piers, 2013 .

A DFT study of the reactivity of actinidocenes (U, Np and Pu) with pyridine and pyridine N-oxide derivatives.

L. Maron, Ludovic Castro, A. Yahia, 2010, Dalton transactions.

A DFT study of the reactivity of Cp2AnMe2 with pyridine N-oxide: Towards a predicted different reactivity of U/Pu and Np

L. Maron, Ludovic Castro, A. Yahia, 2010 .

Theoretical study of the solvation of HgCl2, HgClOH, Hg(OH)2 and HgCl3(-): a density functional theory cluster approach.

A. Dommergue, C. Ferrari, L. Maron, 2011, Physical chemistry chemical physics : PCCP.

A theoretical study of abiotic methylation reactions of gaseous elemental mercury by halogen-containing molecules.

Catherine Larose, A. Dommergue, C. Ferrari, 2011, The journal of physical chemistry. A.

Oxo-functionalization and reduction of the uranyl ion through lanthanide-element bond homolysis: synthetic, structural, and bonding analysis of a series of singly reduced uranyl-rare earth 5f1-4f(n) complexes.

G. Schreckenbach, R. Caciuffo, N. Magnani, 2013, Journal of the American Chemical Society.

Theoretical investigation of the reactivity of bispentamethylcyclopentadienyl uranium(IV) bisthiolate complexes with the heteroallene molecules CS2 and CO2

M. Ephritikhine, Ludovic Castro, A. Boucekkine, 2019, Journal of Organometallic Chemistry.

Insights into structure and redox potential of lignin peroxidase from QM/MM calculations.

Michael Bühl, M. Bühl, J. Götze, 2016, Organic & biomolecular chemistry.

Controlling selectivity in the reductive activation of CO2 by mixed sandwich uranium(III) complexes

L. Maron, Ludovic Castro, N. Tsoureas, 2014 .

Formation of a uranium trithiocarbonate complex via the nucleophilic addition of a sulfide-bridged uranium complex to CS2.

F. Heinemann, L. Maron, Ludovic Castro, 2012, Inorganic chemistry.

Computational insight into 103Rh chemical shift-structure correlations in rhodium bis(phosphine) complexes

M. A. Ortuño, M. Bühl, Ludovic Castro, 2013 .

Are 5f electrons really active in organoactinide reactivity? Some insights from DFT studies.

L. Maron, Ludovic Castro, A. Yahia, 2010, Chemphyschem : a European journal of chemical physics and physical chemistry.

Insights into the mechanism of reaction of [(C5Me5)2Sm(II)(thf)2] with CO2 and COS by DFT studies.

J. Ziller, W. Evans, L. Maron, 2012, Chemistry.

Calculations of One-Electron Redox Potentials of Oxoiron(IV) Porphyrin Complexes.

M. Bühl, Ludovic Castro, L. Castro, 2014, Journal of chemical theory and computation.

Cleaving bonds in CH3OSO2CF3 with [1,2,4-(Me3C)3C5H2]2CeH; an experimental and computational study

O. Eisenstein, L. Maron, R. Andersen, 2013 .

Concomitant Carboxylate and Oxalate Formation From the Activation of CO2 by a Thorium(III) Complex

L. Maron, Ludovic Castro, A. Kerridge, 2016, Chemistry.

A DFT study of the reactions of O3 with Hg° or Br−

A. Dommergue, C. Ferrari, L. Maron, 2009 .

A Combined Experimental and Theoretical Study of the Versatile Reactivity of an Oxocerium(IV) Complex: Concerted vs. Reductive Addition.

Ian D. Williams, H. Sung, P. Arnold, 2019, Chemistry.

Carbonate Formation from CO2 via Oxo versus Oxalate Pathway: Theoretical Investigations into the Mechanism of Uranium-Mediated Carbonate Formation†

L. Maron, Ludovic Castro, K. Meyer, 2010 .

Theoretical treatment of one electron redox transformation of a small molecule using f-element complexes.

L. Maron, L. Perrin, C. E. Kefalidis, 2014, Dalton transactions.

Formation of a Bridging Phosphinidene Thorium Complex.

L. Maron, Ludovic Castro, J. Walensky, 2015, Journal of the American Chemical Society.

Are Solvent and Dispersion Effects Crucial in Olefin Polymerization DFT Calculations? Some Insights from Propylene Coordination and Insertion Reactions with Group 3 and 4 Metallocenes

L. Haspeslagh, L. Maron, Ludovic Castro, 2015 .

A theoretical study of abiotic methylation reactions of gaseous elemental mercury by halogen containing molecules

Catherine Larose, A. Dommergue, C. Ferrari, 2010 .

Formation of Methane versus Benzene in the Reactions of (C5 Me5 )2 Th(CH3 )2 with [CH3 PPh3 ]X (X=Cl, Br, I) Yielding Thorium-Carbene or Thorium-Ylide Complexes.

C. Barnes, L. Maron, Ludovic Castro, 2017, Angewandte Chemie.

A theoretical study of uranium(IV) bis-methyl complexes: towards the predictive formation of a transient uranium(IV) carbene complex.

L. Maron, A. Yahia, L. Castro, 2010, Chemistry.

Calculations of One-Electron Redox Potentials of Oxoiron(IV) Porphyrin Complexes.

M. Bühl, L. Castro, 2014, Journal of chemical theory and computation.