| Year |
Citation |
Score |
| 2021 |
Clavaguéra C, Thaunay F, Ohanessian G. Manifolds of low energy structures for a magic number of hydrated sulfate: SO(HO). Physical Chemistry Chemical Physics : Pccp. 23: 24428-24438. PMID 34693943 DOI: 10.1039/d1cp03123f |
0.592 |
|
| 2020 |
Le Barbu-Debus K, Bowles J, Jähnigen S, Clavaguéra C, Calvo F, Vuilleumier R, Zehnacker A. Assessing cluster models of solvation for the description of vibrational circular dichroism spectra: synergy between static and dynamic approaches. Physical Chemistry Chemical Physics : Pccp. PMID 33169765 DOI: 10.1039/d0cp03869e |
0.322 |
|
| 2019 |
Thaunay F, Calvo F, Nicol E, Ohanessian G, Clavaguera C. Infrared Spectra of Deprotonated Dicarboxylic Acids: IRMPD Spectroscopy and Empirical Valence Bond Modeling. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30695125 DOI: 10.1002/Cphc.201800947 |
0.663 |
|
| 2019 |
Nicol E, Clavaguéra C, Ohanessian G. Vibrational spectroscopy of deprotonated peptides containing an acidic side chain International Journal of Mass Spectrometry. 435: 42-50. DOI: 10.1016/J.Ijms.2018.10.006 |
0.667 |
|
| 2019 |
Thaunay F, Calvo F, Nicol E, Ohanessian G, Clavaguéra C. Cover Feature: Infrared Spectra of Deprotonated Dicarboxylic Acids: IRMPD Spectroscopy and Empirical Valence‐Bond Modeling (ChemPhysChem 6/2019) Chemphyschem. 20: 786-786. DOI: 10.1002/Cphc.201900202 |
0.552 |
|
| 2018 |
Xémard M, Zimmer S, Cordier M, Goudy V, Ricard L, Clavaguéra C, Nocton G. Lanthanidocenes: Synthesis, Structure and Bonding of Linear Sandwich Complexes of Lanthanides. Journal of the American Chemical Society. PMID 30296372 DOI: 10.1021/Jacs.8B09081 |
0.359 |
|
| 2018 |
Kumar M, Simonson T, Ohanessian G, Clavaguéra C. Corrigendum: Structure and Thermodynamics of Mg:Phosphate Interactions in Water: A Simulation Study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 19: 1117. PMID 29733114 DOI: 10.1002/Cphc.201800205 |
0.57 |
|
| 2018 |
Wu X, Clavaguera C, Lagardère L, Piquemal JP, de la Lande A. AMOEBA Polarizable Force Field Parameters of the Heme Cofactor in Its Ferrous and Ferric Forms. Journal of Chemical Theory and Computation. 14: 2705-2720. PMID 29630819 DOI: 10.1021/Acs.Jctc.7B01128 |
0.428 |
|
| 2017 |
Thaunay F, Jana C, Clavaguera C, Ohanessian G. A Strategy for Modeling the Infrared Spectra of Ion-Containing Water Drops. The Journal of Physical Chemistry. A. PMID 29266957 DOI: 10.1021/Acs.Jpca.7B10554 |
0.653 |
|
| 2017 |
Mustieles-Marín I, Cheisson T, Singh Chauhan R, Herrero C, Cordier M, Clavaguéra C, Nocton G, Auffrant A. Electronic Structures of Mono-Oxidized Copper and Nickel Phosphasalen Complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28980736 DOI: 10.1002/Chem.201703390 |
0.305 |
|
| 2017 |
Wu X, Teuler JM, Cailliez F, Clavaguera C, Salahub DR, de la Lande A. Simulating Electron Dynamics in Polarizable Environments. Journal of Chemical Theory and Computation. PMID 28738144 DOI: 10.1021/Acs.Jctc.7B00251 |
0.451 |
|
| 2017 |
Jaoul A, Nocton G, Clavaguera C. Assessment of density functionals for computing thermodynamic properties of lanthanide complexes. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 28704586 DOI: 10.1002/Cphc.201700629 |
0.345 |
|
| 2017 |
de la Lande A, Clavaguéra C, Köster A. On the accuracy of population analyses based on fitted densities(). Journal of Molecular Modeling. 23: 99. PMID 28255858 DOI: 10.1007/S00894-017-3264-5 |
0.356 |
|
| 2017 |
Xémard M, Jaoul A, Cordier M, Molton F, Cador O, Le Guennic B, Duboc C, Maury O, Clavaguéra C, Nocton G. Divalent Thulium Triflate: A Structural and Spectroscopic Study. Angewandte Chemie (International Ed. in English). PMID 28247483 DOI: 10.1002/Anie.201700576 |
0.327 |
|
| 2017 |
Thaunay F, Hassan AA, Cooper RJ, Williams ER, Clavaguéra C, Ohanessian G. Hydration of the sulfate dianion in size-selected water clusters: From SO42−(H2O)9 to SO42−(H2O)13 International Journal of Mass Spectrometry. 418: 15-23. DOI: 10.1016/J.Ijms.2017.01.005 |
0.609 |
|
| 2017 |
Thaunay F, Ohanessian G, Clavaguéra C. Dynamics of ions in a water drop using the AMOEBA polarizable force field Chemical Physics Letters. 671: 131-137. DOI: 10.1016/J.Cplett.2017.01.024 |
0.589 |
|
| 2017 |
Xémard M, Jaoul A, Cordier M, Molton F, Cador O, Le Guennic B, Duboc C, Maury O, Clavaguéra C, Nocton G. Back Cover: Divalent Thulium Triflate: A Structural and Spectroscopic Study (Angew. Chem. Int. Ed. 15/2017) Angewandte Chemie International Edition. 56: 4362-4362. DOI: 10.1002/Anie.201702038 |
0.319 |
|
| 2017 |
Xémard M, Jaoul A, Cordier M, Molton F, Cador O, Le Guennic B, Duboc C, Maury O, Clavaguéra C, Nocton G. Rücktitelbild: Divalent Thulium Triflate: A Structural and Spectroscopic Study (Angew. Chem. 15/2017) Angewandte Chemie. 129: 4428-4428. DOI: 10.1002/Ange.201702038 |
0.328 |
|
| 2016 |
Calvo F, Bacchus-Montabonel MC, Clavaguéra C. Stepwise Hydration of 2-Aminooxazole: Theoretical Insight into the Structure, Finite Temperature Behavior and Proton-Induced Charge Transfer. The Journal of Physical Chemistry. A. 120: 2380-9. PMID 27035034 DOI: 10.1021/Acs.Jpca.5B12392 |
0.476 |
|
| 2016 |
Jana C, Ohanessian G, Clavaguéra C. Theoretical insight into the coordination number of hydrated $$\mathrm{Zn}^{2+}$$ Zn 2 + from gas phase to solution Theoretical Chemistry Accounts. 135. DOI: 10.1007/S00214-016-1887-8 |
0.549 |
|
| 2015 |
Lepere V, Le Barbu-Debus K, Clavaguéra C, Scuderi D, Piani G, Simon AL, Chirot F, MacAleese L, Dugourd P, Zehnacker A. Chirality-dependent structuration of protonated or sodiated polyphenylalanines: IRMPD and ion mobility studies. Physical Chemistry Chemical Physics : Pccp. PMID 26679547 DOI: 10.1039/C5Cp06768E |
0.414 |
|
| 2015 |
Thaunay F, Dognon JP, Ohanessian G, Clavaguéra C. Vibrational mode assignment of finite temperature infrared spectra using the AMOEBA polarizable force field. Physical Chemistry Chemical Physics : Pccp. 17: 25968-77. PMID 26214153 DOI: 10.1039/C5Cp02270C |
0.603 |
|
| 2015 |
Thaunay F, Clavaguéra C, Ohanessian G. Hydration of the sulfate dianion in cold nanodroplets: SO4(2-)(H2O)12 and SO4(2-)(H2O)13. Physical Chemistry Chemical Physics : Pccp. 17: 25935-45. PMID 26102590 DOI: 10.1039/C5Cp02557E |
0.637 |
|
| 2015 |
Kumar M, Simonson T, Ohanessian G, Clavaguéra C. Structure and thermodynamics of Mg:phosphate interactions in water: a simulation study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 658-65. PMID 25528981 DOI: 10.1002/Cphc.201402685 |
0.611 |
|
| 2014 |
Semrouni D, Sharma A, Dognon JP, Ohanessian G, Clavaguéra C. Finite Temperature Infrared Spectra from Polarizable Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 10: 3190-9. PMID 26588289 DOI: 10.1021/Ct5004065 |
0.799 |
|
| 2014 |
Marjolin A, Gourlaouen C, Clavaguéra C, Ren PY, Piquemal JP, Dognon JP. Hydration Gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics. Journal of Molecular Modeling. 20: 2471. PMID 25296890 DOI: 10.1007/S00894-014-2471-6 |
0.45 |
|
| 2014 |
Sharma A, Ohanessian G, Clavaguéra C. Accuracy of density functionals in the description of dispersion interactions and IR spectra of phosphates and phosphorylated compounds. Journal of Molecular Modeling. 20: 2426. PMID 25146430 DOI: 10.1007/S00894-014-2426-Y |
0.58 |
|
| 2014 |
Lassalle Y, Kinani A, Rifai A, Souissi Y, Clavaguera C, Bourcier S, Jaber F, Bouchonnet S. UV-visible degradation of boscalid--structural characterization of photoproducts and potential toxicity using in silico tests. Rapid Communications in Mass Spectrometry : Rcm. 28: 1153-63. PMID 24711278 DOI: 10.1002/Rcm.6880 |
0.311 |
|
| 2014 |
Semrouni D, Sharma A, Dognon JP, Ohanessian G, Clavaguéra C. Finite temperature infrared spectra from polarizable molecular dynamics simulations Journal of Chemical Theory and Computation. 10: 3190-3199. DOI: 10.1021/ct5004065 |
0.774 |
|
| 2014 |
Sharma A, Ohanessian G, Clavaguéra C. Accuracy of density functionals in the description of dispersion interactions and IR spectra of phosphates and phosphorylated compounds Journal of Molecular Modeling. 20. DOI: 10.1007/s00894-014-2426-y |
0.506 |
|
| 2013 |
Semrouni D, Isley WC, Clavaguéra C, Dognon JP, Cramer CJ, Gagliardi L. Ab Initio Extension of the AMOEBA Polarizable Force Field to Fe(2.). Journal of Chemical Theory and Computation. 9: 3062-71. PMID 26583987 DOI: 10.1021/Ct400237R |
0.78 |
|
| 2013 |
Rifai A, Souissi Y, Genty C, Clavaguera C, Bourcier S, Jaber F, Bouchonnet S. Ultraviolet degradation of procymidone--structural characterization by gas chromatography coupled with mass spectrometry and potential toxicity of photoproducts using in silico tests. Rapid Communications in Mass Spectrometry : Rcm. 27: 1505-16. PMID 23722685 DOI: 10.1002/Rcm.6598 |
0.309 |
|
| 2013 |
Parks JH, Semrouni D, Clavaguéra C, Ohanessian G. Relationship between conformational dynamics and electron transfer in a desolvated peptide. Part II. Temperature dependence. The Journal of Physical Chemistry. B. 117: 1756-69. PMID 23297809 DOI: 10.1021/Jp3078437 |
0.784 |
|
| 2013 |
Semrouni D, Clavaguéra C, Ohanessian G, Parks JH. Relationship between conformational dynamics and electron transfer in a desolvated peptide. Part I. Structures. The Journal of Physical Chemistry. B. 117: 1746-55. PMID 23297778 DOI: 10.1021/Jp3078375 |
0.799 |
|
| 2013 |
Labouille S, Clavaguéra C, Nief F. Theoretical insights into the nature of divalent lanthanide-ligand interactions Organometallics. 32: 1265-1271. DOI: 10.1021/Om301018U |
0.36 |
|
| 2013 |
Semrouni D, Isley WC, Clavaguéra C, Dognon JP, Cramer CJ, Gagliardi L. Ab initio extension of the AMOEBA polarizable force field to Fe 2+ Journal of Chemical Theory and Computation. 9: 3062-3071. DOI: 10.1021/ct400237r |
0.754 |
|
| 2013 |
Marjolin A, Gourlaouen C, Clavaguéra C, Dognon JP, Piquemal JP. Towards energy decomposition analysis for open and closed shell f-elements mono aqua complexes Chemical Physics Letters. 563: 25-29. DOI: 10.1016/J.Cplett.2013.01.066 |
0.338 |
|
| 2012 |
Balaj OP, Semrouni D, Steinmetz V, Nicol E, Clavaguéra C, Ohanessian G. Structure of sodiated polyglycines Chemistry - a European Journal. 18: 4583-4592. PMID 22389058 DOI: 10.1002/Chem.201102812 |
0.782 |
|
| 2012 |
Joshi K, Semrouni D, Ohanessian G, Clavaguéra C. Structures and IR spectra of the Gramicidin S peptide: pushing the quest for low-energy conformations. The Journal of Physical Chemistry. B. 116: 483-90. PMID 22087728 DOI: 10.1021/Jp207102V |
0.809 |
|
| 2012 |
Martens JK, Compagnon I, Nicol E, McMahon TB, Clavaguéra C, Ohanessian G. Globule to helix transition in sodiated polyalanines Journal of Physical Chemistry Letters. 3: 3320-3324. DOI: 10.1021/Jz301326W |
0.631 |
|
| 2012 |
Joshi K, Semrouni D, Ohanessian G, Clavaguéra C. Structures and IR spectra of the gramicidin s peptide: Pushing the quest for low-energy conformations Journal of Physical Chemistry B. 116: 483-490. DOI: 10.1021/jp207102v |
0.778 |
|
| 2012 |
Marjolin A, Gourlaouen C, Clavaguéra C, Ren PY, Wu JC, Gresh N, Dognon JP, Piquemal JP. Toward accurate solvation dynamics of lanthanides and actinides in water using polarizable force fields: From gas-phase energetics to hydration free energies Theoretical Chemistry Accounts. 131: 1-14. DOI: 10.1007/S00214-012-1198-7 |
0.446 |
|
| 2011 |
Satpati P, Clavaguéra C, Ohanessian G, Simonson T. Free energy simulations of a GTPase: GTP and GDP binding to archaeal initiation factor 2. The Journal of Physical Chemistry. B. 115: 6749-63. PMID 21534562 DOI: 10.1021/Jp201934P |
0.617 |
|
| 2011 |
Satpati P, Clavaguéra C, Ohanessian G, Simonson T. Free energy simulations of a GTPase: GTP and GDP binding to archaeal initiation factor 2 Journal of Physical Chemistry B. 115: 6749-6763. DOI: 10.1021/jp201934p |
0.491 |
|
| 2011 |
Scuderi D, Bakker JM, Durand S, Maitre P, Sharma A, Martens JK, Nicol E, Clavaguéra C, Ohanessian G. Structure of singly hydrated, protonated phospho-tyrosine International Journal of Mass Spectrometry. 308: 338-347. DOI: 10.1016/J.Ijms.2011.08.031 |
0.628 |
|
| 2011 |
De Courcy B, Dognon JP, Clavaguéra C, Gresh N, Piquemal JP. Interactions within the alcohol dehydrogenase Zn(II)-metalloenzyme active site: Interplay between subvalence, electron correlation/dispersion, and charge transfer/induction effects International Journal of Quantum Chemistry. 111: 1213-1221. DOI: 10.1002/Qua.22760 |
0.351 |
|
| 2010 |
Semrouni D, Ohanessian G, Clavaguéra C. Structural, energetic and dynamical properties of sodiated oligoglycines: Relevance of a polarizable force field Physical Chemistry Chemical Physics. 12: 3450-3462. PMID 20355287 DOI: 10.1039/B924317H |
0.814 |
|
| 2010 |
Semrouni D, Clavaguéra C, Dognon JP, Ohanessian G. Assessment of density functionals for predicting the infrared spectrum of sodiated octa-glycine International Journal of Mass Spectrometry. 297: 152-161. DOI: 10.1016/J.Ijms.2010.08.006 |
0.785 |
|
| 2010 |
Dognon JP, Clavaguéra C, Pyykkö P. Chemical properties of the predicted 32-electron systems Pu@Sn12 and Pu@Pb12 Comptes Rendus Chimie. 13: 884-888. DOI: 10.1016/J.Crci.2010.05.012 |
0.312 |
|
| 2009 |
Clavaguéra C, Piuzzi F, Dognon JP. Electronic spectrum of tryptophan-phenylalanine. A correlated ab initio and time-dependent density functional theory study. The Journal of Physical Chemistry. B. 113: 16443-8. PMID 19938819 DOI: 10.1021/Jp906969N |
0.337 |
|
| 2009 |
Dognon JP, Clavaguéra C, Pyykkö P. A predicted organometallic series following a 32-electron principle: An@C28 (An = Th, Pa+, U2+, Pu4+). Journal of the American Chemical Society. 131: 238-43. PMID 19055371 DOI: 10.1021/Ja806811P |
0.303 |
|
| 2008 |
Correia CF, Clavaguera C, Erlekam U, Scuderi D, Ohanessian G. IRMPD spectroscopy of a protonated, phosphorylated dipeptide Chemphyschem. 9: 2564-2573. PMID 18979489 DOI: 10.1002/Cphc.200800469 |
0.628 |
|
| 2006 |
Clavaguéra C, Sansot E, Calvo F, Dognon JP. Gd(III) polyaminocarboxylate chelate: realistic many-body molecular dynamics simulations for molecular imaging applications. The Journal of Physical Chemistry. B. 110: 12848-51. PMID 16805580 DOI: 10.1021/Jp062277C |
0.394 |
|
| 2006 |
Pollet R, Clavaguéra C, Dognon JP. Ultrasoft pseudopotentials for lanthanide solvation complexes: core or valence character of the 4f electrons. The Journal of Chemical Physics. 124: 164103. PMID 16674125 DOI: 10.1063/1.2191498 |
0.328 |
|
| 2006 |
Clavaguéra C, Calvo F, Dognon JP. Theoretical study of the hydrated Gd3+ ion: structure, dynamics, and charge transfer. The Journal of Chemical Physics. 124: 74505. PMID 16497055 DOI: 10.1063/1.2167647 |
0.428 |
|
| 2005 |
Clavaguéra C, Pollet R, Soudan JM, Brenner V, Dognon JP. Molecular dynamics study of the hydration of lanthanum(III) and europium(III) including many-body effects. The Journal of Physical Chemistry. B. 109: 7614-6. PMID 16851881 DOI: 10.1021/Jp051032H |
0.366 |
|
| 2005 |
Clavaguéra C, Dognon JP. Accurate static electric dipole polarizability calculations of +3 charged lanthanide ions Chemical Physics. 311: 169-176. DOI: 10.1016/J.Chemphys.2004.10.014 |
0.354 |
|
| Low-probability matches (unlikely to be authored by this person) |
| 2008 |
Réal F, Vallet V, Clavaguéra C, Dognon JP. In silico prediction of atomic static electric-dipole polarizabilities of the early tetravalent actinide ions: Th4+(5f0), Pa4+(5f1), and U4+ ( 5f2) Physical Review a - Atomic, Molecular, and Optical Physics. 78. DOI: 10.1103/Physreva.78.052502 |
0.294 |
|
| 2011 |
Clavaguéra C, Dognon JP. Theoretical study of the bent U(η8-C8H8)2(CN)- complex Theoretical Chemistry Accounts. 129: 447-452. DOI: 10.1007/S00214-010-0879-3 |
0.289 |
|
| 2022 |
Puyo-Fourtine J, Juillé M, Hénin J, Clavaguéra C, Duboué-Dijon E. Consistent Picture of Phosphate-Divalent Cation Binding from Models with Implicit and Explicit Electronic Polarization. The Journal of Physical Chemistry. B. 126: 4022-4034. PMID 35608554 DOI: 10.1021/acs.jpcb.2c01158 |
0.287 |
|
| 2011 |
Halbert S, Clavaguéra C, Bouchoux G. The shape of gaseous n-butylbenzene: assessment of computational methods and comparison with experiments. Journal of Computational Chemistry. 32: 1550-60. PMID 21328399 DOI: 10.1002/Jcc.21733 |
0.277 |
|
| 2014 |
Jacquot L, Xémard M, Clavaguéra C, Nocton G. Multiple one-electron transfers in bipyridine complexes of bis(phospholyl) thulium Organometallics. 33: 4100-4106. DOI: 10.1021/Om500607R |
0.273 |
|
| 2017 |
Goudy V, Jaoul A, Cordier M, Clavaguera C, Nocton G. Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment. Journal of the American Chemical Society. PMID 28741942 DOI: 10.1021/Jacs.7B05634 |
0.272 |
|
| 2012 |
Dognon JP, Clavaguéra C, Pyykkö P. A new, centered 32-electron system: The predicted [U@Si 20] 6--like isoelectronic series Chemical Science. 3: 2843-2848. DOI: 10.1039/C2Sc20448G |
0.267 |
|
| 2023 |
Bowles J, Jähnigen S, Vuilleumier R, Calvo F, Clavaguéra C, Agostini F. Influence of the environment on the infrared spectrum of alanine: An effective mode analysis. The Journal of Chemical Physics. 158: 094305. PMID 36889973 DOI: 10.1063/5.0135608 |
0.265 |
|
| 2018 |
Artola PA, Rousseau B, Clavaguéra C, Roy M, You D, Plancque G. Preventing iron(ii) precipitation in aqueous systems using polyacrylic acid: some molecular insights. Physical Chemistry Chemical Physics : Pccp. PMID 29932180 DOI: 10.1039/C7Cp02743E |
0.26 |
|
| 2013 |
Gourlaouen C, Clavaguéra C, Marjolin A, Piquemal JP, Dognon JP. Understanding the structure and electronic properties of Th 4+-water complexes Canadian Journal of Chemistry. 91: 821-831. DOI: 10.1139/Cjc-2012-0546 |
0.259 |
|
| 2016 |
Jaoul A, Clavaguéra C, Nocton G. Electron transfer in tetramethylbiphosphinine complexes of Cp*2Yb and Cp*2Sm New Journal of Chemistry. 40: 6643-6649. DOI: 10.1039/C6Nj00527F |
0.256 |
|
| 2020 |
Jaoul A, Yang Y, Casaretto N, Clavaguéra C, Maron L, Nocton G. Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI. Chemical Communications (Cambridge, England). 56: 11875-11878. PMID 33021260 DOI: 10.1039/D0Cc05164K |
0.253 |
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| 2022 |
Tandiana R, Sicard-Roselli C, Van-Oanh NT, Steinmann S, Clavaguéra C. In-depth theoretical understanding of the chemical interaction of aromatic compounds with a gold nanoparticle. Physical Chemistry Chemical Physics : Pccp. 24: 25327-25336. PMID 36226681 DOI: 10.1039/d2cp02654f |
0.249 |
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| 2023 |
Tandiana R, Omar KA, Luppi E, Cailliez F, Van-Oanh NT, Clavaguéra C, de la Lande A. Use of Gaussian-Type Functions for Describing Fast Ion-Matter Irradiation with Time-Dependent Density Functional Theory. Journal of Chemical Theory and Computation. PMID 37874960 DOI: 10.1021/acs.jctc.3c00656 |
0.229 |
|
| 2007 |
Dognon JP, Clavaguéra C, Pyykkö P. Towards a 32-electron principle: Pu@Pb12 and related systems. Angewandte Chemie (International Ed. in English). 46: 1427-30. PMID 17225223 DOI: 10.1002/Anie.200604198 |
0.228 |
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| 2018 |
Xémard M, Cordier M, Louyriac E, Maron L, Clavaguéra C, Nocton G. Small molecule activation with divalent samarium triflate: a synergistic effort to cleave O. Dalton Transactions (Cambridge, England : 2003). PMID 29952393 DOI: 10.1039/C8Dt02196A |
0.227 |
|
| 2017 |
Xémard M, Goudy V, Braun A, Tricoire M, Cordier M, Ricard L, Castro L, Louyriac E, Kefalidis CE, Clavaguéra C, Maron L, Nocton G. Reductive Disproportionation of CO2 with Bulky Divalent Samarium Complexes Organometallics. 36: 4660-4668. DOI: 10.1021/Acs.Organomet.7B00630 |
0.218 |
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| 2021 |
Tandiana R, Brun E, Sicard-Roselli C, Domin D, Van-Oanh NT, Clavaguéra C. Probing the structural properties of the water solvation shell around gold nanoparticles: A computational study. The Journal of Chemical Physics. 154: 044706. PMID 33514087 DOI: 10.1063/5.0037551 |
0.207 |
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| 2019 |
Jaoul A, Tricoire M, Moutet J, Cordier M, Clavaguéra C, Nocton G. Reversible electron transfer in organolanthanide chemistry. Chemistry Squared. 3: 1. PMID 31463472 DOI: 10.28954/2019.csq.06.001 |
0.197 |
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| 2006 |
Clavaguéra C, Dognon JP, Pyykkö P. Calculated lanthanide contractions for molecular trihalides and fully hydrated ions: The contributions from relativity and 4f-shell hybridization Chemical Physics Letters. 429: 8-12. DOI: 10.1016/J.Cplett.2006.07.094 |
0.195 |
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| 2022 |
Jiang Y, Indrajith S, Perez Mellor AF, Bürgi T, Lecouvey M, Clavaguéra C, Bodo E, Houée-Levin C, Loire E, Berden G, Oomens J, Scuderi D. Final Products of One-Electron Oxidation of Cyclic Dipeptides Containing Methionine Investigated by IRMPD Spectroscopy: Does the Free Radical Choose the Final Compound? The Journal of Physical Chemistry. B. PMID 36417492 DOI: 10.1021/acs.jpcb.2c06541 |
0.162 |
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| 2023 |
Jiang Z, Clavaguéra C, Hu C, Denisov SA, Shen S, Hu F, Ma J, Mostafavi M. Direct time-resolved observation of surface-bound carbon dioxide radical anions on metallic nanocatalysts. Nature Communications. 14: 7116. PMID 37932333 DOI: 10.1038/s41467-023-42936-6 |
0.153 |
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| 2023 |
Jiang Y, Clavaguéra C, Indrajith S, Houée-Levin C, Berden G, Oomens J, Debora S. OH radical-induced oxidation in nucleosides and nucleotides unraveled by tandem mass spectrometry and IRMPD spectroscopy. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202300534. PMID 37713246 DOI: 10.1002/cphc.202300534 |
0.14 |
|
| 2023 |
Cemortan V, Simler T, Moutet J, Jaoul A, Clavaguéra C, Nocton G. Structure and bonding patterns in heterometallic organometallics with linear Ln-Pd-Ln motifs. Chemical Science. 14: 2676-2685. PMID 36908951 DOI: 10.1039/d2sc06933d |
0.122 |
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| 2024 |
Bowles J, Jähnigen S, Agostini F, Vuilleumier R, Zehnacker A, Calvo F, Clavaguéra C. Vibrational circular dichroism spectroscopy with a classical polarizable force field: alanine in the gas and condensed phases. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202300982. PMID 38318765 DOI: 10.1002/cphc.202300982 |
0.12 |
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| 2020 |
Moutet J, Schleinitz J, La Droitte L, Tricoire M, Pointillart F, Gendron F, Simler T, Clavaguéra C, Le Guennic B, Cador O, Nocton G, Andersen RA. Bis-cyclooctatetraenyl Thulium(II): Highly Reducing Lanthanide Sandwich Single Molecule Magnets. Angewandte Chemie (International Ed. in English). 60: 6042-6046. PMID 36530221 DOI: 10.1002/anie.202015428 |
0.12 |
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