Publications by authors named "Ludovic Castro"

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A Combined Experimental and Theoretical Study of the Versatile Reactivity of an Oxocerium(IV) Complex: Concerted Versus Reductive Addition.
Ludovic Castro, Yat-Ming So, Chang-Woo Cho, Rolf Lortz, Kai-Hong Wong

Chemistry· August 2019

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A Theoretical Outlook on the Stereoselectivity Origins of Isoselective Zirconocene Propylene Polymerization Catalysts.
Ludovic Castro, Gabriel Therukauff, Aurelien Vantomme, Alexandre Welle, Luc Haspeslagh

Chemistry· July 2018

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Dinitrogen functionalization at a ditantalum center. Balancing N displacement and N functionalization in the reaction of coordinated N with CS.
Richard J Burford, Ludovic Castro, Laurent Maron, Jason E Hein, Michael D Fryzuk

Dalton Trans· June 2018

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Formation of Methane versus Benzene in the Reactions of (C Me ) Th(CH ) with [CH PPh ]X (X=Cl, Br, I) Yielding Thorium-Carbene or Thorium-Ylide Complexes.
Pokpong Rungthanaphatsophon, Adrien Bathelier, Ludovic Castro, Andrew C Behrle, Charles L Barnes

Angew Chem Int Ed Engl· October 2017

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Concomitant Carboxylate and Oxalate Formation From the Activation of CO by a Thorium(III) Complex.
Alasdair Formanuik, Fabrizio Ortu, Christopher J Inman, Andrew Kerridge, Ludovic Castro

Chemistry· December 2016

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New perspectives in organolanthanide chemistry from redox to bond metathesis: insights from theory.
Christos E Kefalidis, Ludovic Castro, Lionel Perrin, Iker Del Rosal, Laurent Maron

Chem Soc Rev· May 2016

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Insights into structure and redox potential of lignin peroxidase from QM/MM calculations.
Ludovic Castro, L Ellis Crawford, Archford Mutengwa, Jan P Götze, Michael Bühl

Org Biomol Chem· February 2016

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Formation of a Bridging Phosphinidene Thorium Complex.
Andrew C Behrle, Ludovic Castro, Laurent Maron, Justin R Walensky

J Am Chem Soc· December 2015

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Theoretical treatment of one electron redox transformation of a small molecule using f-element complexes.
Ludovic Castro, Christos E Kefalidis, David McKay, Stéphanie Essafi, Lionel Perrin

Dalton Trans· August 2014

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Calculations of One-Electron Redox Potentials of Oxoiron(IV) Porphyrin Complexes.
Ludovic Castro, Michael Bühl

J Chem Theory Comput· January 2014

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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.
Polly L Arnold, Emmalina Hollis, Gary S Nichol, Jason B Love, Jean-Christophe Griveau, Ludovic Castro

J Am Chem Soc· March 2013

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Reduction of carbon dioxide promoted by a dinuclear tantalum tetrahydride complex.
Joachim Ballmann, Fraser Pick, Ludovic Castro, Michael D Fryzuk, Laurent Maron

Inorg Chem· February 2013

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Carbon monoxide activation via O-bound CO using decamethylscandocinium-hydridoborate ion pairs.
Andreas Berkefeld, Warren E Piers, Masood Parvez, Ludovic Castro, Laurent Maron

J Am Chem Soc· July 2012

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Insights into the mechanism of reaction of [(C5Me5)2Sm(II)(thf)2] with CO2 and COS by DFT studies.
Ludovic Castro, Stéphanie Labouille, Doug R Kindra, Joseph W Ziller, Francois Nief

Chemistry· June 2012

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Insight into the reaction mechanisms of (MeC5H4)3U with isoelectronic heteroallenes CS2, COS, PhN3, and PhNCO by DFT studies: a unique pathway that involves bimetallic complexes.
Ludovic Castro, Laurent Maron

Chemistry· May 2012

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Formation of a uranium trithiocarbonate complex via the nucleophilic addition of a sulfide-bridged uranium complex to CS2.
Oanh P Lam, Ludovic Castro, Boris Kosog, Frank W Heinemann, Laurent Maron

Inorg Chem· January 2012

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Theoretical study of the solvation of HgCl2, HgClOH, Hg(OH)2 and HgCl3(-): a density functional theory cluster approach.
Ludovic Castro, Aurélien Dommergue, Alexandre Renard, Christophe Ferrari, Alejandro Ramirez-Solis

Phys Chem Chem Phys· October 2011

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A theoretical study of abiotic methylation reactions of gaseous elemental mercury by halogen-containing molecules.
Ludovic Castro, Aurélien Dommergue, Catherine Larose, Christophe Ferrari, Laurent Maron

J Phys Chem A· June 2011

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A DFT study of the reactivity of actinidocenes (U, Np and Pu) with pyridine and pyridine N-oxide derivatives.
Ludovic Castro, Ahmed Yahia, Laurent Maron

Dalton Trans· August 2010

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A theoretical study of uranium(IV) bis-methyl complexes: towards the predictive formation of a transient uranium(IV) carbene complex.
Ahmed Yahia, Ludovic Castro, Laurent Maron

Chemistry· May 2010

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Are 5f electrons really active in organoactinide reactivity? Some insights from DFT studies.
Ludovic Castro, Ahmed Yahia, Laurent Maron

Chemphyschem· April 2010

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