| Year | Citation | Score | |||
|---|---|---|---|---|---|
| 2017 | Dognon JP, Pyykkö P. Chemistry of the 5g Elements: Relativistic Calculations on Hexafluorides. Angewandte Chemie (International Ed. in English). PMID 28444891 DOI: 10.1002/Anie.201701609 | 0.307 | |||
| 2017 | Dognon J. Electronic structure theory to decipher the chemical bonding in actinide systems Coordination Chemistry Reviews. 344: 150-162. DOI: 10.1016/J.Ccr.2017.02.003 | 0.349 | |||
| 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 | 0.341 | |||
| 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 | 0.378 | |||
| 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 | 0.689 | |||
| 2014 | Dubost E, Dognon JP, Rousseau B, Milanole G, Dugave C, Boulard Y, Léonce E, Boutin C, Berthault P. Understanding a host-guest model system through ¹²⁹Xe NMR spectroscopic experiments and theoretical studies. Angewandte Chemie (International Ed. in English). 53: 9837-40. PMID 25048162 DOI: 10.1002/Anie.201405349 | 0.387 | |||
| 2014 | Dognon JP. Theoretical insights into the chemical bonding in actinide complexes Coordination Chemistry Reviews. 266: 110-122. DOI: 10.1016/J.Ccr.2013.11.018 | 0.351 | |||
| 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 | 0.331 | |||
| 2013 | Berthet JC, Thuéry P, Garin N, Dognon JP, Cantat T, Ephritikhine M. Revisiting the chemistry of the actinocenes [(η8-C8H8)2An] (An = U, Th) with neutral Lewis bases. Access to the bent sandwich complexes [(η8-C8H8)2An(L)] with thorium (L = py, 4,4'-bipy, tBuNC, R4phen). Journal of the American Chemical Society. 135: 10003-6. PMID 23799276 DOI: 10.1021/Ja4036626 | 0.344 | |||
| 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 | 0.647 | |||
| 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 | 0.682 | |||
| 2013 | Lewin V, Rivollier J, Coudert S, Buisson DA, Baumann D, Rousseau B, Legrand FX, Kou?ilová H, Berthault P, Dognon JP, Heck MP, Huber G. Synthesis of cucurbit[6]uril derivatives and insights into their solubility in water European Journal of Organic Chemistry. 3857-3865. DOI: 10.1002/Ejoc.201300229 | 0.315 | |||
| 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 | 0.694 | |||
| 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 | 0.304 | |||
| 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 | 0.565 | |||
| 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 | 0.309 | |||
| 2008 | Berthet JC, Thuéry P, Dognon JP, Guillaneux D, Ephritikhine M. Sterically congested uranyl complexes with seven-coordination of the UO2 unit: the peculiar ligation mode of nitrate in [UO2(NO3)2(Rbtp)] complexes. Inorganic Chemistry. 47: 6850-62. PMID 18582036 DOI: 10.1021/Ic8004486 | 0.378 | |||
| 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 | 0.368 | |||
| 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 | 0.383 | |||
| 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 | 0.402 | |||
| 2006 | Fuchs JF, Nedev H, Poger D, Ferrand M, Brenner V, Dognon JP, Crouzy S. New model potentials for sulfur-copper(I) and sulfur-mercury(II) interactions in proteins: from ab initio to molecular dynamics. Journal of Computational Chemistry. 27: 837-56. PMID 16541427 DOI: 10.1002/Jcc.20392 | 0.429 | |||
| 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 | 0.377 | |||
| 2005 | Chin W, Mons M, Dognon JP, Mirasol R, Chass G, Dimicoli I, Piuzzi F, Butz P, Tardivel B, Compagnon I, von Helden G, Meijer G. The gas-phase dipeptide analogue acetyl-phenylalanyl-amide: a model for the study of side chain/backbone interactions in proteins. The Journal of Physical Chemistry. A. 109: 5281-8. PMID 16839051 DOI: 10.1021/Jp048037J | 0.318 | |||
| 2005 | Chin W, Piuzzi F, Dognon JP, Dimicoli I, Mons M. Gas-phase models of gamma turns: effect of side-chain/backbone interactions investigated by IR/UV spectroscopy and quantum chemistry. The Journal of Chemical Physics. 123: 084301. PMID 16164285 DOI: 10.1063/1.2006672 | 0.304 | |||
| 2005 | Chin W, Dognon JP, Piuzzi F, Dimicoli I, Mons M. Secondary structures of Val-Phe and Val-Tyr(Me) peptide chains in the gas phase: Effect of the nature of the protecting groups Molecular Physics. 103: 1579-1587. DOI: 10.1080/00268970500096160 | 0.314 | |||
| 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 | 0.372 | |||
| 2004 | Chin W, Mons M, Dognon JP, Piuzzi F, Tardivel B, Dimicoli I. Competition between local conformational preferences and secondary structures in gas-phase model tripeptides as revealed by laser spectroscopy and theoretical chemistry Physical Chemistry Chemical Physics. 6: 2700-2709. DOI: 10.1039/B315470J | 0.328 | |||
| 2003 | Clavaguéra-Sarrio C, Brenner V, Hoyau S, Marsden CJ, Millié P, Dognon JP. Modeling of uranyl cation-water clusters Journal of Physical Chemistry B. 107: 3051-3060. DOI: 10.1021/Jp0273833 | 0.301 | |||
| 2002 | Derepas AL, Soudan JM, Brenner V, Dognon JP, Millié P. Can we understand the different coordinations and structures of closed-shell metal cation-water clusters? Journal of Computational Chemistry. 23: 1013-30. PMID 12116406 DOI: 10.1002/Jcc.10063 | 0.416 | |||
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