S. Hoyau

Most-cited papers

1. A Quantitative Basis for a Scale of Na+ Affinities of Organic and Small Biological Molecules in the Gas Phase

   S. Hoyau, K. Norrman, T. Mcmahon, G. Ohanessian

   1999178 citations

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2. Na+Binding to Cyclic and Linear Dipeptides. Bond Energies, Entropies of Na+Complexation, and Attachment Sites from the Dissociation of Na+-Bound Heterodimers and ab Initio Calculations

   Blas A. Cerda, S. Hoyau, G. Ohanessian, C. Wesdemiotis

   1998124 citations

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3. Interaction of Alkali Metal Cations (Li+–Cs+) with Glycine in the Gas Phase: A Theoretical Study

   S. Hoyau, G. Ohanessian

   1998110 citations

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4. Absolute Affinities of α-Amino Acids for Cu+ in the Gas Phase. A Theoretical Study

   S. Hoyau, G. Ohanessian

   1997107 citations

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5. Modeling of uranyl cation-water clusters

   C. Clavaguéra, V. Brenner, S. Hoyau, C. Marsden +2 more

   200365 citations

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6. Second-order rutile-type to CaCl2-type phase transition in β-MnO2 at high pressure

   J. Haines, J. Léger, S. Hoyau

   199563 citations

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7. Complexation of small organic molecules by Cu

   S. Hoyau, G. Ohanessian

   199749 citations

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8. Complexation of Glycine by Atomic Metal Cations in the Gas Phase

   S. Hoyau, J. Pelicier, Françoise Gilard, Y. Hoppilliard +1 more

   200145 citations

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9. Theoretical study of the atrazine pesticide interaction with pyrophyllite and Ca2+‐montmorillonite clay surfaces

   Bastien Belzunces, S. Hoyau, M. Benoit, N. Tarrat +1 more

   2017Journal of Computational Chemistry39 citations

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10. Modeling complexes of the uranyl ion UO2L2n+: Binding energies, geometries, and bonding analysis

    Carine Clavaguéra-Sarrio, S. Hoyau, Nina Ismail, C. Marsden

    200339 citations

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11. Direct selected multireference configuration interaction calculations for large systems using localized orbitals.

    N. Ben Amor, Fabienne Bessac, S. Hoyau, D. Maynau

    2011Journal of Chemical Physics38 citations Open access

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12. Pesticide interaction with environmentally important cations: A theoretical study of atrazine in interaction with two Ca2+ cations

    Fabienne Bessac, S. Hoyau

    201314 citations

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13. A regionally contracted multireference configuration interaction method: general theory and results of an incremental version.

    S. Hoyau, D. Maynau, J. Malrieu

    2011Journal of Chemical Physics13 citations

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14. Proton affinities of polybenzenoid aromatic hydrocarbons and those with five‐membered rings

    K. Pointet, A. Milliet, S. Hoyau, M. Renou-Gonnord

    199713 citations

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15. Pesticide interaction with environmentally important cations: A theoretical study of atrazine

    Fabienne Bessac, S. Hoyau

    201112 citations

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16. Acetone–water complexes at MRCI level using localized orbitals: n → π∗ and π → π∗ electronic transitions

    S. Hoyau, N. Ben Amor, S. Borini, S. Evangelisti +1 more

    20089 citations Open access

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17. Large systems at ab initio multireference level: a cheap treatment thanks to a division into fragments.

    Fabienne Bessac, S. Hoyau, D. Maynau

    2005Journal of Chemical Physics9 citations

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18. Pesticide interaction with environmentally important cations: A molecular dynamics and DFT study of metamitron and fenhexamid

    Bastien Belzunces, S. Hoyau, J. Cuny, Fabienne Bessac

    20178 citations

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19. The Electronic Structure of Beryllium Chains.

    Ahmad W. Huran, N. Ben Amor, S. Evangelisti, S. Hoyau +2 more

    2018Journal of Physical Chemistry A7 citations Open access

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20. Interaction of Metamitron and Fenhexamid with Ca2+‐Montmorillonite Clay Surfaces: A Density Functional Theory Molecular Dynamics Study

    Bastien Belzunces, S. Hoyau, Fabienne Bessac

    2019Journal of Computational Chemistry6 citations

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21. Low-lying excited states of model proteins: Performances of the CC2 method versus multireference methods.

    N. Ben Amor, S. Hoyau, D. Maynau, V. Brenner

    2018Journal of Chemical Physics5 citations Open access

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22. Atrazine Desorption Mechanism from an Hydrated Calcium Montmorillonite—A DFT Molecular Dynamics Study

    Quentin Desdion, Fabienne Bessac, S. Hoyau

    2024International Journal of Molecular Sciences3 citations Open access

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23. Desorption Mechanism of a Pesticide from a Hydrated Calcium Montmorillonite Unraveled by Molecular Dynamics Simulations

    Bastien Belzunces, S. Hoyau, J. Cuny, Fabienne Bessac

    2023Journal of Physical Chemistry C2 citations Open access

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24. Model protein excited states: MRCI calculations with large active spaces vs CC2 method.

    V. Brenner, Thibaut Very, M. Schmidt, M. Gordon +2 more

    2021Journal of Chemical Physics2 citations Open access

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25. Interaction of proline with Cu+ in the gas phase

    S. Hoyau, G. Ohanessian

    19982 citations

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26. Impact of protein fining agents and bentonite on rotundone concentration in red wine made from Vitis vinifera L. cv. Tardif

    Olivier Geffroy, Clotilde Buisson, G. Nogues, Guillaume Desport +5 more

    2025OENO One1 citations Open access

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27. Accuracy of Computational Chemistry Methods to Calculate Organic Contaminant Molecular Properties

    K. Bonnot, P. Benoit, S. Hoyau, L. Mamy +4 more

    2022ChemistrySelect1 citations Open access

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28. Proton affinities of polybenzenoid aromatic hydrocarbons and those with five-membered rings

    K. Pointet, A. Milliet, S. Hoyau, M. Renou-Gonnord

    1997Journal of Computational Chemistry1 citations

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29. Adsorption of 2-aminobenzothiazole and para-toluenesulphonamide on kaolinite and montmorillonite surfaces: study using density functional theory (DFT)

    Konaté Abdoulaye, A. Bede, Mariam Leila, S. Hoyau +1 more

    2026RSC Applied Interfaces0 citations Open access

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30. Issue Information

    S. Hoyau, M. Benoit, N. Tarrat, Fabienne Bessac

    20160 citations Open access

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31. Complexation et activation d'acides amines par des cations metalliques

    S. Hoyau

    19970 citations

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