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Yannick Jeanvoine

21
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Infrared-Assisted Synthesis of Prebiotic Glycine

Debora Scuderi , Ariel Pérez-Mellor , Joël Lemaire , Suvasthika Indrajith , Jean-Xavier Bardaud
ChemPhysChem, 2020, 21 (6), pp.503-509. ⟨10.1002/cphc.202000065⟩
Article dans une revue hal-02565776v1
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The formation of urea in space. II. MP2 versus PM6 dynamics in determining bimolecular reaction products

Yannick Jeanvoine , Riccardo Spezia
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2019, 138 (1), ⟨10.1007/s00214-018-2385-y⟩
Article dans une revue hal-01972483v1
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The formation of urea in space. I. Ion-molecule, neutral-neutral and radical gas phase reactions

Flavio Siro Brigiano , Yannick Jeanvoine , Antonio Largo , Riccardo Spezia
Astronomy and Astrophysics - A&A, 2018, 610 (A&A), pp.A26. ⟨10.1051/0004-6361/201731610⟩
Article dans une revue hal-02104460v1

TileViz : Tile visualization for direct dynamics applied to astrochemical reactions.

Martial Mancip , Riccardo Spezia , Yannick Jeanvoine , Cécile Balsier
Journal of Electronic Imaging, 2018, 2018 (16), pp.286-1-286-7. ⟨10.2352/ISSN.2470-1173.2018.16.SDA-286⟩
Article dans une revue hal-02104427v1
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Gas Phase Synthesis of Protonated Glycine by Chemical Dynamics Simulations

Yannick Jeanvoine , Antonio Largo , William L. Hase , Riccardo Spezia
Journal of Physical Chemistry A, 2018, 122 (3), pp.869-877. ⟨10.1021/acs.jpca.7b11622⟩
Article dans une revue hal-01688317v1

Structure, Stability, and Electronic Properties of Dimethyl Sulfoxide and Dimethyl Formammide Clusters Containing Th4+

Maria Montagna , Yannick Jeanvoine , Riccardo Spezia , Enrico Bodo
Journal of the Chemical Society A: Inorganic, Physical, Theoretical, 2016, 120 (27), pp.4778-4788. ⟨10.1021/acs.jpca.5b12007⟩
Article dans une revue hal-01386207v1

Gas phase fragmentation mechanisms of protonated testosterone as revealed by chemical dynamics simulations.

Giae Lee , Eunkyung Park , Heesun Chung , Yannick Jeanvoine , Kihyung Song
International Journal of Mass Spectrometry, 2016, 407, pp.40-50. ⟨10.1016/j.ijms.2016.07.001⟩
Article dans une revue hal-01386213v1

Synthesis of formamide and related organic species in the interstellar medium via chemical dynamics simulations.

Riccardo Spezia , Yannick Jeanvoine , William L. Hase , Kihyung Song , Antonio Largo
The Astrophysical Journal, 2016, 826, pp.107. ⟨10.3847/0004-637X/826/2/107⟩
Article dans une revue hal-01386212v1

Hydration properties of Cm(III) and Th(IV) combining coordination free energy profiles with electronic structure analysis.

Riccardo Spezia , Yannick Jeanvoine , Cesar Beuchat , Laura Gagliardi , Rodolphe Vuilleumier
Physical Chemistry Chemical Physics, 2014, 16 (12), pp.5824-5832. ⟨10.1039/C3CP54958E⟩
Article dans une revue hal-00976350v1

Hydration properties of Lanthanoid(III) carbonate complexes in liquid water determined by polarizable molecular dynamics simulations.

Fausto Martelli , Yannick Jeanvoine , Thomas Vercouter , Cesar Beuchat , Rodolphe Vuilleumier
Physical Chemistry Chemical Physics, 2014, 16 (8), pp.3693-3705. ⟨10.1039/C3CP54001D⟩
Article dans une revue hal-00976347v1

Modeling proton-induced damage on 2-deoxy-D-ribose. Conformational analysis

M. A. Hervé Du Penhoat , P. López-Tarifa , K. K. Ghose , Y. Jeanvoine , M. P. Gaigeot
Journal of Molecular Modeling, 2014, 20, pp.2221. ⟨10.1007/s00894-014-2221-9⟩
Article dans une revue hal-01053090v1

Developing polarizable potential for molecular dynamics of Cm(III)-carbonate complexes in liquid water

Riccardo Spezia , Yannick Jeanvoine , Rodolphe Vuilleumier
Journal of Molecular Modeling, 2014, 20, pp.2398. ⟨10.1007/s00894-014-2398-y⟩
Article dans une revue hal-01077291v1

Electronic Structure and Bonding of Lanthanoid(III) Carbonates

Yannick Jeanvoine , Pere Mirò , Fausto Martelli , Christopher J. Cramer , Riccardo Spezia
Physical Chemistry Chemical Physics, 2012, 14 (43), pp.14822-14831. ⟨10.1039/C2CP41996C⟩
Article dans une revue hal-00797810v1

Collision Induced Dissocia- tion of Protonated Urea with N2 : Effects of Rotational Energy on Reactivity and Energy Transfer via Chemical Dynamics Simulations

Yannick Jeanvoine , Marie-Pierre Gaigeot , William L. Hase , Kihyung Song , Riccardo Spezia
International Journal of Mass Spectrometry, 2011, 308 (2-3), pp.289-298. ⟨10.1016/j.ijms.2011.07.029⟩
Article dans une revue hal-00643086v1

Cu2+ binding chalcogen-chalcogen bridges : a problematic case for DFT

Yannick Jeanvoine , Riccardo Spezia
Journal of Molecular Structure: THEOCHEM, 2010, 954 (1-3), pp.7-15. ⟨10.1016/j.theochem.2010.05.001⟩
Article dans une revue hal-00511025v1

Mn2+-, Fe2+-, Co2+-, Ni2+-, Cu2+-, and Zn2+-Binding Chalcogen−Chalcogen Bridges: A Compared MP2 and B3LYP Study

Yannick Jeanvoine , Riccardo Spezia
Journal of Physical Chemistry A, 2009, 113 (27), pp.7878-7887. ⟨10.1021/jp811460f⟩
Article dans une revue hal-00403285v1

Co2+ Binding Cysteine and Selenocysteine : A DFT Study

Riccardo Spezia , Guewen Tournois , Thierry Cartailler , Jeanine Tortajada , Yannick Jeanvoine
Journal of Physical Chemistry A, 2006, 110 (31), pp.9727-9735. ⟨10.1021/jp0614998⟩
Article dans une revue hal-00137623v1