Ene / diene (co)polymerization catalyzed by cationic d0 meta complexes: speciation, ion pairing and selectivity from a computational perspective
Verrieux L, Thuilliez J, Jean-Baptiste-dit-Dominique F, Boisson C, Poradowski MN, Perrin L* ACS Catal. PDF


Relating circular dichroism to atomic structure by means of MD simulations and computed CD spectra with α-peptoids as an example
Bhattacharjee N, Perrin L, Jolibois F. Phys. Chem. Chem. Phys., 22:13192-13200, 2020. PDF


Iodine-transfer polymerization (ITP) of ethylene and copolymerization with vinyl acetate
Wolpers A, Baffie F, Verrieux L, Perrin L, Monteil V, D’Agosto F: Angew. Chem. Int. Ed., 2020. PDF



Identification of a furtive but key motif in the living coordinative chain transfer cyclo-copolymerization of ethylene with butadiene
Belaid I, Macqueron B, Poradowski M-N, Bouaouli S, Da Cruz-Boisson F, Monteil V, D’Agosto F, Perrin L*, Boisson C: ACS Catal. 9:9298-9309, 2019. PDF


A Career in Catalysis: Odile Eisenstein
Balcells D, Clot E, Macgregor S, Maseras F, Perrin L*: ACS Catal. 9:10375-10388, 2019. PDF


Scope and Challenge of Computational Methods for Studying Mechanism and Reactivity in Homogeneous Catalysis
Harvey JN, Himo F, Maseras F, Perrin L*: ACS Catal. 8:6803-6813, 2019. PDF


High Glass‐Transition Temperature Polymer Networks harnessing the Dynamic Ring Opening of Pinacol Boronates
Brunet J, Collas F, Humbert M, Perrin L, Brunel F, Lacôte E, Montarnal D, Raynaud J: Angew. Chem. Int. Ed. 58:12216-12222, 2019. PDF



81) Coordinative chain transfer copolymerization of ethylene and styrene using an ansa-bis(fluorenyl) neodymium complex and a dialkylmagnesium
W Nzahou Ottou, S Norsic, M-N Poradowski, L Perrin,* F D’Agosto, C Boisson, Polym. Chem., 2018, DOI:10.1039/C8PY00712H

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80) Exploring the conformation of mixt cis-trans α,β-oligopeptoids: A joint experimental and computational study
Angelici G, Bhattacharjee N, Roy O, Faure S, Didierjean C, Jouffret L, Jolibois F, Perrin L*, Taillefumier C: J. Org. Chem. Just accepted

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79) Dialkenylmagnesium compounds in coordinative chain trans- fer polymerization of ethylene. Reversible chain transfer agents and tools to probe catalyst selectivities towards ring formation.
I Belaid, M-N Poradowski, S Bouaouli, J Thuilliez, L Perrin*, F D’Agosto, C Boisson
Orgnametallics, 2018, om-2018-00127p accepted manuscript

toc 79 

78) Zirconocene-Mediated Selective C–C Bond Cleavage of Strained Carbocycles: Scope and Mechanism
J Bruffaerts, A Vasseur, S Singh, A Masarwa, D Didier, L Oskar, L Perrin*, O Eisenstein, I Marek
J. Org. Chem., 2018, 83 (7), pp 3497–3515
DOI: 10.1021/acs.joc.7b03115

toc 78 


77) PDF Fine control of metal environment within dysprosium-based mononuclear Single-Molecule Magnets
Djamila Guettas, Vincent Montigaud, Guglielmo Fernandez Garcia, Paolo Larini, Olivier Cador, Boris Le Guennic, and Guillaume Pilet
Eur. J. Inorg. Chem. Accepted Article
DOI: 10.1002/ejic.201701106

toc 77 

76) PDF Microwave-assisted, ligand-free, direct C-H arylation of thiophenes in biomass-derived γ-valerolactone.
Silvia Tabasso, Emanuela Calcio, Gaudino Laura Rinaldi, Audrey Ledoux, Paolo Larini* and Giancarlo Cravotto* : New J. Chem. 2017 DOI: 10.1039/C7NJ01540B

toc 76 

75) PDF Preparation of monopodal and bipodal aluminum surface species by selective protonolysis of highly reactive [AlH3(NMe2Et)] on silica
D. W. Sauter, V. Chiari, N. Aykac, S. Bouaouli, L. Perrin,* L. Delevoye, R. M. Gauvin, K. C. Szeto, C. Boisson,* M. Taoufik* : Dalton Trans 2017 DOI: 10.1039/C7DT02575K

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74) PDF Superacidic Cyclization of Activated Anthranilonitriles into 2-Unsubstituted-4-aminoquinolines
Hubert Lavrard, Paolo Larini,* and Florence Popowycz* : Org. Lett. 2017 DOI: 10.1021/acs.orglett.7b01798

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73) PDF An experimental and DFT Computational Study of β-Me and β-H elimination coupled with proton transfer; from amides to enamides in Cp*2MX, M = La and Ce.
Rozenel SS, Perrin L*, Eisenstein O, Andersen RA: Organometallics 2017, DOI : 10.1021/acs.organomet.6b00677



72) PDF Comparative Structural Analysis of Biarylphosphine Ligands in Arylpalladium Bromide and Malonate Complexes
Anne-Sophie Goutierre, Huu Vinh Trinh, Paolo Larini, Rodolphe Jazzar, and Olivier Baudoin : Organometallics 2017, DOI: 10.1021/acs.organomet.6b00535


71) PDF Development of a Modified Julia Olefination of Imides for the Synthesis of Alkaloids
HV Trinh, L Perrin*, PG Goekjian, D Gueyrard Eur. J. Org. Chem. 2016, DOI: 10.1002/ejoc.201600349



70) PDF Deciphering selectivity in organic reactions: a multifaceted problem
Balcells D, Clot E, Eisenstein O, Nova A, Perrin L: Acc. Chem. Res. 2016 accepted ar-2016-00099q


69) PDF Preparation and Reactivity of Acyclic Chiral Allylzinc Species by a Zinc-Brook Rearrangement
Leibling M, Shurrush K, Werner V, Perrin L, Marek I Angew. Chem. Int. Ed. 2015, 56:
DOI: 10.1002/anie.201602393



68) PDF New perspectives in organolanthanide chemistry from redox to bond metathesis: Insights from theory
Kefalidis CE, Castro L, Perrin L, Del Rosal I, Maron L: Chem. Soc. Rev. 2016, accepted



67) PDF Weak backbone CH…O=C and side chain tBu…tBu London interactions help promote helix folding of achiral NtBu peptoids.
Angelici G, Bhattacharjee N, Roy O, Faure S, Didierjean C, Jolibois F, Perrin L*, Taillefumier: Chem. Commun. doi:10.1039/C6CC00375C 2016.



66) PDF Discrete, water-soluble, hetero-metallic chalcogenide oligomers as building blocks for functional films.
Chane-Ching JY, Perrin L, Puech P, Bourdon V, Foncrose V, Balocchi A, Marie X, Lavedan P: Inorg. Chem. Front. doi:10.1039/C5QI00250H 2016.



65) PDF The role of H2O in the electron transfer–activation of substrates using SmI2: A theoretical study.
Zhao X, Perrin L, Procter DJ, Maron L: Dalton Trans. 2016, DOI:10.1039/c6dt00241b



64) PDF Modeling, Rationalizing and Predicting Organometallic Chemistry with Computation: Where are we?
Perrin L*, McMullin CL, Carr KJT, Eisenstein O, Macgregor SA: Struct. Bond. DOI:10.1007/430_2015_176, 2016.


63) PDF Ethylene-Butadiene Copolymerization by Neodymocene complexes: a Ligand Structure / Activity / Polymer Microstructure Relationship based on DFT calculations.
Nsiri H, Belaid I, Larini P, Thuilliez J, Boisson C, Perrin L*: ACS Catal. 6:1028-1036, 2016

TOC 63

62) PDF Deciphering the mechanism of Coordinative Chain Transfer Polymerization of ethylene using neodymocene catalysts and dialkylmagnesium.
Ribeiro R, Ruivo R, Nsiri H, Norsic S, D’Agosto F, Perrin L*, Boisson C: ACS Catal. 6:851-860, 2016.



61) PDF Polyboramines for Hydrogen Release: Polymers Containing Lewis Pairs in their Backbone
Audrey Ledoux, Paolo Larini, Christophe Boisson, Vincent Monteil, Jean Raynaud and Emmanuel Lacôte
Angew. Chem. Int. Ed. 2015, 54, 15744-15749
(Selected as VIP paper)
DOI: 10.1002/anie.201508395

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60) PDF Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C–H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases
Philipp M. Holstein, Maria Vogler, Paolo Larini, Guillaume Pilet, Eric Clot, and Olivier Baudoin
ACS Catal., 2015, 5, pp 4300–4308
DOI: 10.1021/acscatal.5b00898

cs 2015 00898q 0013

59) PDF Straightforward Synthesis of 5-bromo-penta-2,4-diyne-nitrile and Its Reactivity Towards Terminal Alkynes: A Direct Access to Diene and Benzofulvene Scaffolds via Hexa-Dihydro-Diels-Alder Reaction.
Kerisit N, Toupet L, Larini P, Perrin L, Guillemin JC, Trolez Y: Chem. Eur. J. 21:6042-6047, 2015


58) PDF Remote functionalization of hydrocarbons with reversibility enhanced stereocontrol.
Vasseur A, Perrin L*, Eisenstein O, Marek I: Chem. Sci. 6:2770-2776, 2015


57) PDF Can the pentamethylcyclopentadienyl ligand act as a proton-relay in f-element chemistry? Insights from a joint experimental / theoretical study.
Kefalidis C E, Perrin L, Burns C J, Berg D J, Maron L, Andersen R A: Dalton Trans. 44:2575-2587, 2015.
Supporting article for Dalton Discussion 14, Advancing the Chemistry of the f-elements

toc 57 


56) PDF Stereoselective synthesis of enantiopure cycloalkylglycines by 1,3-dipolar cycloaddition of chiral nitrone to cycloalkenes.
Abda H, Aouadi K, Perrin L, Msaddek M,Praly J-P, Vidal S: Eur. J. Org. Chem. 27:6017-6024, 2014.


55) PDF Theoretical Treatment of One Electron Redox Transformation of Small Molecule using f-element Complexes.
Castro L, Kefalidis C E, McKay D, Essafi S, Perrin L, Maron L: Dalton Trans. 43:12124-12134, 2014.


54) PDF Synthesis and biological evaluation of tetrahydro[1,4]diazepino[1,2-a]indol-1-ones as cyclin-dependant kinase inhibitors.
Putey A, Fournet G, Ferandin Y, Lozach O, Perrin L*, Meijer L, Joseph B: Eur. J. Med. Chem. 83:617-629, 2014.


53) PDF Two [1,2,4-(Me3C)3C5H2]2CeH molecules are involved in the catalytic hydrogenation of pyridine to piperidine as shown by experiments and calculations.
Perrin L*, Werkema EL, Eisenstein O, AndersenRA: Inorg. Chem. 53(13):6361–6373, 2014



52) PDF Qualitative Estimation of the Single Electron Transfer Step Energetics mediated by Sm(II) complexes: a “SOMO-LUMO Gap” Approach.
Kefalidis C E, Essafi S, Perrin L*, Maron L: Inorg. Chem. 53(7):3427–3433, 2014


51) PDF Computational insights in carbon-carbon homocoupling reactions mediated by organolanthanide(III) complexes.
Kefalidis CE, Perrin L, Maron L: Dalton Trans. 43(11):4520-4529, 2014

            Themed issue New talent : Europe


50) PDF Ligand controlled α- and β-Arylation of Acyclic N-Boc Amines
Millet A, Dailler D, Larini P, Baudoin O, Angew. Chem. Int. Ed., 2014, 53, 2678-2682  (lactones” (Selected by Synfacts)

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49) PDF Efficient Pd-catalyzed allene synthesis from alkynes and aryl bromides through an intramolecular base-assisted deprotonation (iBAD) mechanism
Nella N, Parker E, Hitce J, Larini P*, Jazzar R, Baudoin O. Chem.Eur. J.2014, 20, 13272.

toc 49


48) PDF Preliminary Theoretical Insights into SmI2 Mediated Reactions: Activation of Ketones in THF
Kefalidis C E, Perrin L*, Maron L: Eur. J. Inorg. Chem.(22-23):4041-4049, 2013


47) PDF Ligand-controlled β-selective C(sp3)–H arylation of N-Boc-piperidines
Millet A, Larini P, Clot E, Baudoin O, Chem. Sci., 2013, 4, 2241-2247 Selected by Synform

toc 47


46) PDF Palladium-catalyzed β-arylation of silyl ketene acetals and application to the synthesis of benzo-fused δ-lactones
Aspin S, Lopez-Suarez L, Larini P, Goutierre A-S, Jazzar R, Baudoin O, Org. Lett., 2013, 15, 5056-5059 (Selected by Synfacts)

toc 46


45) PDF Reversible 1,4-Insertion of Pyridine Into A Highly Polar Metal Carbon Bond: Effect of the Second Metal.
Lichtenberg C, Spaniol TP, Perrin L, Maron L, Okuda J: Chem. Eur. J. 18(21):6448-6452, 2012

toc 45

44) PDF Structural role of the counterions adsorbed on self-assembly peptide nanotubes.
Gobeaux F, Fay N, Tarabout C, Ligeti M, Alexandre-Buisson D, Cintrat JC, Nguyen KMH, Perrin L, Valéry C, Artzner F and  Paternostre M: J. Am. Chem. Soc. 134(1):723-733, 2012

toc 44

43) PDF Mechanistic insights into β-oxygen atom transfer in olefin epoxidation mediated by W(VI) complexes and H2O2.
Dinoi C, Poli R, Perrin L*, Maron L: Dalton Trans. 41(4):1131-1133, 2012

toc 43

42) PDF On the Mechanism of the Palladium-Catalyzed β-Arylation of Ester Enolates
Larini P, Kefalidis CE, Jazzar R, Renaudat A, Clot E, Baudoin O, Chem. Eur. J.2012, 18, 1932-1944

toc 42

41) PDF Synthesis of aromatic α-aminoesters: palladium-catalyzed long-range arylation of primary C(sp3)-H bonds
Aspin S, Goutierre A-S, Larini P, Jazzar R, Baudoin O, Angew. Chem. Int. Ed.2012, 51, 10808-10811 (Selected by Synfacts and highlighted in Organic Chemistry Portal website: www. organic-chemistry.org)

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40) PDF Theoretical and Experimental Studies on the Carbon Nanotube Surface Oxidation by Nitric Acid: Interplay between Functionalization and Vacancy Enlargement.
Gerber I, Oubenali M, Bacsa R, Durand J, Gonçalves A, Fernando M, Pereira R, Jolibois F, Perrin L, Poteau R and Serp P: Chem. Eur. J. 17(41):11467-11477, 2011

            Inside Cover page


39) PDF Metabolism of N-methyl-amide by cytochrome P450s: formation and characterization of highly stable carbinol-amide intermediate.
Perrin L*, Loiseau N, André F, Delaforge: FEBS J.278(112):2167-2178, 2011

toc 39

38) PDF Control of peptide nanotube diameter by chemical modification of an aromatic residue involved in a single clos contact.
Tarabout C, Roux S, Gobeaux F, Fay N, Pouget E, Meriadec C, Meneau F, Ligeti M, Thomas D, Ijsselstijn M, Besselievre F, Buisson D, Verbavatz JM, Petitjean M, Valéry C, Perrin L, Rousseau B, Artzner F, Paternostre M, Cintrat JC: Proc. Natl. Acad. Sci. USA 108(19):7679-7684, 2011


37) PDF Isoselective Styrene Polymerization Catalyzed by ansa-Bis(indenyl) Allyl Rare Earth Complexes. Stereochemical and Mechanistic Aspects.
Annunziata, L, Rodrigues AS, Kirillov E, Sarazin,Y, Okuda J, Perrin L, Maron L, Carpentier JF: Macromolecules 44(9):3312-3322, 2011

toc 37


36) PDF Insertion of Pyridine into the Calcium Allyl Bond: Regioselective 1,4-Dihydropyridine Formation and C-H Bond Activation.
Jochmann P, Dols TS, Spaniol TP, Perrin L, Maron L, Okuda J: Angew. Chem. Int. Ed. 49(42):7795-7798, 2010

toc 36

35) PDF DFT investigation of the tacticity control during styrene polymerization catalyzed by single-component allyl ansa- lanthanidocenes {(C5H4CMe2(9-C13H8)}Ln(C3H5).
Perrin L, Kirillov E, Carpentier JF, Maron L: Macromolecules, 43(15):6330-6336, 2010

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34) PDF Probing the stereo-electronic properties of cationic rhodium complexes bearing chiral diphosphine ligands by 103Rh NMR
Fabrello A, Dinoi C, Perrin L*, Kalck P, Maron L, Urrutigoïty M, Dechy-Cabaret O: Magn. Res. Chem. 48(11): 848-856, 2010

toc 34

33) PDF A joint experimental/theoretical investigation of the olefin/conjugated diene co-polymerization catalyzed by a hemi-lanthanidocene [(Cp*)(BH4)LnR]: A route for statistical copolymers ?
Maron L, Perrin L, Bonnet F, Chenal T,  Visseaux M: Chem. Eur. J. 16(37):11376-11385, 2010

toc 33

32) PDF Olefin epoxidation by H2O2/MeCN catalyzed by cyclopentadienyloxidotungsten(VI) and molybdenum(VI) complexes: experiments and computations.
Dinoi C, Ciclosi M, Manoury E, Maron L, Perrin L*, Poli R: Chem. Eur. J.16(31):9572-9584, 2010

toc 31

31) PDF A DFT study of conjugated dienes polymerization catalyzed by [Cp*ScR]+: Insights into the propensity for cis-1,4 insertion.
Perrin L, Bonnet F, Visseaux M, Montreux A, Maron L: Chem. Commun. 46(17):2965-2967, 2010

toc 31

30) PDF Facile Interconversion of Cp2(Cl)Hf-SnH3 and Cp2(Cl)Hf(μ-H)SnH2: Hafnocene Stannyl Complexes as Masked Stannylenes.
Guilhaumé J, Raynaud C, Eisenstein O, Perrin L, Maron L, Tilley TD: Angew. Chem. Int. Ed. 49(10):1816-1819, 2010

toc 30

29) PDF Elucidation of the self-assembly pathway of Lanreotide octapeptide into β-sheet nanotubes: role of two stable intermediates.
Pouget E, Fay N, Dujardin E, Jamin N, Berthault P, Paternostre M, Perrin L, Pandit A, Rose, T Valéry C, Thomas D, Artzner Fr: J. Am. Chem. Soc. 132(12):4230-4241, 2010

toc 29


28) PDF Bis(allyl)calcium.
Jochmann P, Dols T, Spaniol TP, Perrin L, Maron L, Okuda J: Angew. Chem. Int. Ed. 48(31):5715-5719, 2009

toc 28

27) PDF Bond Activations of PhSiH3 by Cp2SmH: A Mechanistic Investigation by the DFT method.
Perrin L, Maron L, Eisenstein O, Tilley TD: Organometallics28(13):3767-3775, 2009

toc 27

26) PDF On the Initiation Mechanism of Syndiospecific Styrene Polymerization Catalyzed by Single-Component ansa-Lanthanidocenes.
Perrin L, Sarazin Y, Kirillov E, Carpentier JF, Maron L: Chem. Eur. J.15(15):3773-3783, 2009

toc 26 

25) PDF Intramolecular Hydrogen Bonding as a Determinant of the Inhibitory Potency of N-Unsubstituted Imidazole Derivatives towards Hemoproteins.
Perrin L, André F, Aninat C, Ricoux R, Mahy JP, Schiavi BM, Richard DJ, Shangguan N, Joullié MM, Delaforge M: Metallomics 1:148-156, 2009

toc 25 

24) PDF Bhattacharya, C.; Bonfante, P.; Deagostino, A.; Kapulnik, Y.; Larini, P.; Occhiato, E. G.; Prandi, C.; Venturello, P. Org. Biomol. Chem.2009, 7, 3413 “A new class of conjugated strigolactone analogues with fluorescent properties: synthesis and biological activity”

toc 24 

23) PDF Barbero, M.; Cadamuro, S.; Deagostino, A.; Dughera, S.; Larini, P.; Occhiato, E.G.; Prandi, C.; Tabasso, S.; Vulcano, R.; Venturello, P. Synthesis, 2009, 13, 2260 “o-Benzenedisulfonimide as powerful and recyclable organocatalyst for the Nazarov reaction”  

toc 23


22) PDF Metabolism of Phenylahistin Enantiomers by Cytochromes P450: a Possible Explanation for their Different Cytotoxicity.
Perrin L, Aninat C, Hamon V, Hayashi Y, Abadie C, Heyd B,André F, Delaforge M: Drug Metab. Dispos. 36(11):2381-2392, 2008

21) PDF The Effect of Ketoconazole on the Pharmacokinetics and Pharmacodynamics of Ixabepilone: A First in Class Epothilone B Analogue in Late-Phase Clinical Development.
Goel S, Cohen M, Çömezoglu SN, Perrin L, André F, Jayabalan D, Iacono L, Comprelli A, Ly VT, Zhang D, Xu C, Humphreys WG, McDaid H, Goldberg G, Horwitz SB, Mani S: Clin. Cancer Res. 14(9):2701-2709, 2008

20) PDF Deagostino, A.; Larini, P.; Occhiato, E. G.; Pizzuto, L.; Prandi, C.; Venturello, P. J. Org. Chem.2008, 73, 1941 “Synthesis of Weinreb amides via Pd-catalyzed aminocarbonylation of heterocyclic-derived triflates”

toc 20 


19) PDF Chemoselectivity in σ bond activations by lanthanocene complexes from a DFT perspective: reactions of Cp2LnR (R = CH3, H, SiH3) with SiH4 and CH3-SiH3.
Perrin L, Eisenstein O, Maron L: New J. Chem.31(4):549-555, 2007

toc 19 

18) PDF Bartali, L.; Larini, P.; Guarna, A.; Occhiato, E. G. Synthesis, 2007, 11, 1733 “Preparation of cyclopenta-fused N-, O-, and S-heterocycles by Lewis acid catalyzed Nazarov reaction”

toc 18 

17) PDF Bartali, L.; Guarna, A.; Larini, P.; Occhiato, E. G. Eur. J. Org. Chem., 2007, 13, 2152 “Carbonylative Suzuki-Miyaura coupling reaction of lactam-, lactone-, and thiolactone-derived enol triflates for the synthesis of unsymmetrical dienones”

toc 17


16) PDF A DFT study of stannane dehydrocoupling catalyzed by Cp2LaH.
Raynaud C, Perrin L, Maron L: Organometallics25(13):3143-3151, 2006

toc 16 

15) PDF An electrochemical and DFT study on selected β-diketiminato metal complexes.
Ibrahim SK, Khvostov AV, Lappert MF, Maron L, Perrin L, Pickett CJ, Protchenko AV: Dalton Trans. (21):2591-2596, 2006

toc 15 

14) PDF Larini, P.; Guarna, A.; Occhiato, E. G. Org. Lett, 2006, 8, 781 “The Lewis acid-catalyzed Nazarov reaction of 2-(N-methoxycarbonylamino)-1,4-pentadien-3-ones”

toc 14


13) PDF Hydrogen for fluorine exchange in CH4-xFx by monomeric [1,2,4-(Me3C)3C5H2]2CeH: Experimental and computational studies.
Werkema EL, Messines E, Perrin L, Maron L, Eisenstein O,  Andersen RA: J. Am. Chem. Soc.127(21):7781-7795, 2005

toc 13 

12) PDF Cytochrome P450-mediated oxidation of glucuronide derivatives: Example of estradiol-17 beta-glucuronide oxidation to 2-hydroxyestradiol-17-β-glucuronide by CYP2C8.
Delaforge M, Pruvost A, Perrin L, Andre F: Drug Metab. Dispos.33(3):466-473, 2005

            Cover page


11) PDF Hydrogen for fluorine exchange in C6F6 and C6F5H by monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and computational studies.
Maron L, Werkema EL, Perrin L, Eisenstein O, Andersen RA: J. Am. Chem. Soc.127(1):279-292, 2005

toc 11


10) PDF Modelling Me5C5 for reactivity studies in (η5-C5Me5)2Ln-R: full DFT and QM/MM approaches.
Perrin L, Maron L, Eisenstein O: New J. Chem.28(10):1255-1259, 2004

toc 10


9) PDF Bonding of H2, N2, ethylene, and acetylene to bivalent lanthanide metallocenes: Trends from DFT calculations on Cp2M and Cp*M2 (M = Sm, Eu, Yb) and experiments with Cp*Yb2.
Perrin L, Maron L, Eisenstein O, Schwartz DJ, Burns CJ, Andersen RA: Organometallics22(26): 5447-5453, 2003

toc 9 

8) PDF CF4 defluorination by Cp2Ln-H: a DFT study.
Maron L, Perrin L, Eisenstein O: Dalton Trans. (22):4313-4318, 2003

            Hot paper

toc 8 

7) PDF Mono-, di-, and trianionic β-diketiminato ligands: A computational study and the synthesis and structure of [(YbL)3(THF)], L = [{N(SiMe3)C(Ph)}2CH].
Eisenstein O, Hitchcock PB, Khvostov AV, Lappert MF, Maron L, Perrin L, Protchenko AV: J. Am. Chem. Soc.125(36):10790-10791, 2003

toc 7 

6) PDF Some structural and electronic properties of MX3 (M = Ln, Sc, Y, Ti+, Zr+, Hf+; X = H, Me, Hal, NH2) from DFT calculations.
Perrin L, Maron L, Eisenstein O: Faraday Disc.124:25-39, 2003


5) PDF γ agostic C-H or β agostic Si-C bonds in La{CH(SiMe3)2}3? A DFT study of the rôle of the ligand.
Perrin L, Maron L, Eisenstein O, Lappert MF: New J. Chem.27(1):121-127, 2003

toc 5


4) PDF A DFT study of SiH4 activation by Cp2LnH.
Perrin L, Maron L, Eisenstein O: Inorg. Chem.41(17):4355-4362, 2002

toc 4

3) PDF Are the carbon monoxide complexes of Cp2M (M = Ca, Eu, or Yb) carbon or oxygen bonded? An answer from DFT calculations.
Maron L, Perrin L, Eisenstein O, Andersen RA: J. Am. Chem. Soc.124(20):5614-5615, 2002

toc 3 

2) PDF DFT study of CH4 activation by d(0) Cl2LnZ (Z = H, CH3) complexes.
Maron L, Perrin L, Eisenstein O: J. Chem. Soc. - Dalton Trans. (4):534-539, 2002

toc 2


1) PDF Computed ligand electronic parameters, from quantum chemistry and their relation to Tolman parameters, Lever parameters, and Hammett constants.
Perrin L, Clot E, Eisenstein O, Loch J, Crabtree RH: Inorg. Chem.40(23):5806-5811, 2001

toc 1

Book Chapters

2) Small molecules activation by divalent and trivalent lanthanides. A computational overview.
Maron L, Perrin L, Castro L, Yahia H, Kefalidis CE: Computational Methods in Lanthanide and Actinide Chemistry, Dolg, M ed., Wiley, 2015, pp343-374.

1) Lanthanide complexes: electronic structure and H-H, C-H and Si-H bond activation from a DFT perspective.
Perrin L, Maron L, Eisenstein O: ACS Symposium Series 885, Activation and Functionalization of C-H Bonds, chap 7, pp116-133, Goldberg KI and Goldman AS, eds. 2004 

Congress Papers

2) Olefins/Conjugated Dienes Co-Polymerization: Mechanistic Insights from DFT Investigations.
Perrin L, Maron L: Polymer Preprints 51(1):130-131, 2010

1) Evidence for human cytochrome P450-mediated oxidation of estradiol-17fO-glucuronide: A combination of biochemical data and modeling approaches.
Delaforge M, Pruvost A, Perrin L, André F: Drug Metab. Rev. 37:24, Suppl. 1, 2005