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2011

  • DCMR

1. Reactivity of polynuclear zinc thiolate sites.

Ohanessian G, Picot D, Frison* G.

 Int. J. Quantum Chem. 111, 1239-1247 (2011)

2. Interactions within the alcohol dehydrogenase Zn(II)-metalloenzyme active site: interplay

between subvalence, electron correlation/dispersion, and charge transfer/induction effects.

de Courcy B, Dognon JP, Clavaguéra C, Gresh N, Piquemal* JP.

Int. J. Quantum Chem., 111, 1213-1221 (2011)

3. An easy, stereoselective synthesis of hexahydroisoindol-4-ones under phosphine catalysis.

Duvvuru D, Betzer JF, Retailleau P, Frison G, Marinetti* A.

Adv. Synth. Catal., 353, 483-493 (2011)

4. Acid–base thermochemistry of gaseous aliphatic -aminoacids.

Bouchoux* G, Huang S, Inda BS.

Phys. Chem. Chem. Phys., 13, 651-668 (2011)

5. Comparison between - and -carbonic anhydrases: can Zn(His)3(H2O) and Zn(His)(Cys)2(H2O)

sites lead to equivalent enzymes?

Pannetier F, Ohanessian G, Frison* G.

Dalton Trans. 40, 2696-2698 (2011)

6. Comparison of microhydration methods: protonated glycine as a working example

Jacquemin* D, Michaux C, Perpète EA, Frison* G.

 J. Phys. Chem. B, 114, 3604-3613 (2011)

7. The shape of gaseous n-butylbenzene: assessment of computational methods and comparison

with experiments.

Halbert S, Clavaguéra C, Bouchoux* G

J. Comput. Chem. 32, 1550-1560 (2011)

8. Theroetical study of the bent U(η8-C8H8)2(CN)- complex.

Clavaguéra* C, Dognon* JP.

Theor. Chem. Acc., 129, 447-452 (2011)

9. Gas phase acidity of substituted benzenes.

Bouchoux* G.

Chem. Phys. Lett., 506, 167-174 (2011)

10. Free energy simulations of a GTPase: GTP and GDP binding to archaeal initiation factor 2.

Satpati P, Clavaguéra C, Ohanessian G, Simonson* T.

J. Phys Chem. B, 115, 6749-6763 (2011)

11. Ground electronic state of peptide cation radicals: a delocalized unpaired electron?

Gilson AI, van der Rest G, Chamot-Rooke J, Kurlancheek W, Head-Gordon M, Jacquemin D,

Frison* G.

J. Phys. Chem. Lett., 2, 1426-1431 (2011)

12. Acid-base thermochemistry of gaseous oxygen and sulfur substituted amino acids (Ser, Thr,

Cys, Met).

Riffet V, Frison G, Bouchoux* G.

 Phys. Chem. Chem. Phys. 13, 18561-18580 (2011)

13. Structure of singly hydrated, protonated phospho-tyrosine.

Scuderi D, Bakker JM, Durand S, Maitre* P, Sharma A, Martens JK, Nicol E, Clavaguéra* C,

Ohanessian* G.

 Int. J. Mass Spectrom. 308, 338-347 (2011)

14. Fragmentation reactions of phenoxide anions: deprotonated Dinoterb and related structures.

Rifai A, Bourcier S, Arquier A, Charvet Y, Jaber F, Bouchoux* G.

J. Mass Spectrom. 46, 1079-1088 (2011)

15. Investigation of the dissociation pathways of metolachlor, acetochlor and alachlor under

electron ionization - application to the identification of ozonation products.

Bouchonnet* S, Kinani S, Souissi Y, Bourcier S, Sablier M, Roche P, Boireau V, Ingrand V.

Rapid Comm. Mass Spectrom., 25, 93-103 (2011)

16. Investigation of the unusual behavior of metolachlor under chemical ionization in a hybrid 3D

ion trap mass spectrometer.

Goulden PH, Coffinet S, Genty C, Bourcier S, Sablier M, Bouchonnet* S.

Anal. Chem. 20, 7587-7590 (2011)

17. Posttranslational modification of pili upon cell contact triggers N. meningitidis dissemination.

Chamot-Rooke J, Mikaty G, Malosse C, Soyer M, Dumont A, Gault J, Imhaus A-F, Martin P,

Trellet M, Clary G, Chafey P, Camoin L, Nilges M, Nassif X, Duménil* G.

Science, 331, 778-782 (2011)

18. Dissociation channel dependence on peptide size observed in electron capture dissociation of

tryptic peptides.

van der Rest* G, Hui R, Frison G, Chamot-Rooke J.

J. Am. Soc. Mass Spectrom., 22, 1631-1644 (2011)

 

  • DCPH

1.     Room-Temperature Palladium-Catalyzed Negishi-Type Coupling: A Combined Experimental and Theoretical Study 
Ribagnac P., Blug M., Villa-Uribe J., Le Goff X.F., Gosmini C., Mezailles N. 
Chem. Eur. J. 2011, 17, (51), 14389-14393.
 

2.     Thermochromic-Luminescence of Copper Iodide Clusters: The Case of Phosphine Ligands 
Perruchas S., Tard C., Le Goff X.F., Fargues A., Garcia A., Kahlal S., Saillard JY., Gacoin T., Boilot J.-P. 
Inorg. Chem. 2011, 50, (21), 10682-10692.
 

3.     Zinc Base Assisted Amination of 2-Chloropyrimidines by Aniline Derivatives at Room Temperature 
Delvos L.B., Begouin J.-M., Gosmini C. 
Synlett. 2011, 16, 2325-2328.
 

4.     Mechanistic Insights of the Initiation Process of the Ring-Opening Polymerization of epsilon-Caprolactone by Divalent Sm(BH4)2THF2 with DFT: Concerted or Oxidative Reaction?
Iftner C., Bonnet F., Nief F., Visseaux M., Maron L. 
Organometallics 2011, 30, (17), 4482-4485.
 

5.     Theoretical Treatment of Redox Processes Involving Lanthanide(II) Compounds: Reactivity of Organosamarium(II) and Organothulium(II) Complexes with CO2 and Pyridine 
Labouille S., Nief F., Maron L. 
J. Phys. Chem. A 2011, 115, (29), 8295-8301.
 

      6. Uranium(IV) Nucleophilic Carbene Complexes 
Tourneux J.-C., Berthet J.-C., Cantat T., Thuery P., Mézailles N., Le Floch P., Ephritikhine M. 
Organometallics 2011, 30, (11), 2957-2971.
 

7.     Coordination Behavior of the S-C-S Monoanion and O-C-O and S-C-S Dianions toward Co(II) 
Heuclin H., Cantat T., Le Goff X.F., Le Floch P., Mézailles N. 
Eur. J. Inorg. Chem. 2011, 16, 2540-2546.
 

8.     Synthesis of a 2-benzocymantrenylpyridine and further mechanistic insights
Djukic JP., Iali W., Hijazi A., Ricard L. 
J. Organomet. Chem. 2011, 696, (10), 2101-2107.
 

9.     Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds 
Tourneux J.-C., Berthet J.-C., Cantat T., Thuery P., Mézailles N., Ephritikhine M. 
J. Am. Chem. Soc. 2011, 133, (16), 6162-6165.
 

10.   Magnetic Core-Shell Nanoparticles from Nanoscale-Induced Phase Segregation
Carenco S., Le Goff X.F., Shi J., Roiban L., Ersen O., Boissiere C., Sanchez C., Mézailles N. 
Chem. Mater. 2011, 23, (8), 2270-2277. 
 

11.   Synthesis and Evaluation of Side-Arm-Alkylated Phosphametallocene Phosphines 
Carmichael D., Klankermayer J., Muller E., Pietrusiewicz KM., Ricard L., Seeboth N., Sowa S., Stankevic M. 
Organometallics 2011, 30, (7), 1804-1811.
 

12.   Tridentate and Tetradentate Iminophosphorane-Based Ruthenium Complexes in Catalytic Transfer Hydrogenation of Ketones 
Dyer H., Picot A., Vendier L., Auffrant A., Le Floch P., Sabo-Etienne S. 
Organometallics 2011, 30, (6), 1478-1486.
 

13.   Reaction of Perfluoroalkyl Grignard Reagents with Phosphorus Trihalides: A New Route to Perfluoroalkyl-phosphonous and -phosphonic Acids 
Hosein AI., Le Goff X.F., Ricard L., Caffyn A.J.M. 
Inorg. Chem. 2011, 50, (4), 1484-1490.
 

14.   Smiles Cascades toward Heterocyclic Scaffolds
El Kaim L., Grimaud L., Le Goff X.F., Schiltz A. 
Org. Lett. 2011, 13, (3), 534-536.
 

15.   Synthesis and structure of divalent thulium borohydrides and their application in epsilon-caprolactone polymerisation
Momin A., Bonnet F., Visseaux M., Maron L., Takats J., Ferguson MJ., Le Goff XF., Nief F. 
Chem. Commun. 2011, 47, (44), 12203-12205.
 

16.   Straightforward four-component access to spiroindolines 
El Kaim L., Grimaud L., Le Goff XF., Menes-Arzate M., Miranda LD. 
Chem. Commun. 2011, 47, (28), 8145-8147.
 

17.   Charge-induced facial-selectivity in the formation of new cationic planar chiral iridacycles derived from aniline 
Djukic JP., Iali W., Pfeffer M., Le Goff X.F. 
Chem. Commun. 2011, 47, (12), 3631-3633.
 

18.   Cobalt-Catalyzed Reductive Allylation of Alkyl Halides with Allylic Acetates or Carbonates
Qian X., Auffrant A., Felouat A., Gosmini C. 
Angew. Chem. Int. Ed. 2011, 50, (44), 10402-10405.
 

19.   Redox-fixable manipulation of planar chirality in late transition metal sandwich compounds., a 1,1 '-diphosphacobaltocene/1,1 '-diphosphacobaltocenium salt couple
Cabon Y., Carmichael D., Ricard L. 
Chem. Commun. 2011, 47, (41), 11486-11488.
 

20.   Pd(II) and Ni(II) complexes featuring a "phosphasalen" ligand: synthesis and DFT study
Cao T.P.A., Labouille S., Auffrant A., Jean Y., Le Goff X.F., Le Floch P. 
Dalton Trans. 2011, 40, (39), 10029-10037.
 

21.   Mechanism of the Dehydrogenative Silylation of Alcohols Catalyzed by Cationic Gold Complexes: An Experimental and Theoretical Study 
Labouille S., Escalle-Lewis A., Jean Y., Mezailles N., Le Floch P. 
Chem. Eur. J. 2011, 17, (7), 2256-2265.