Search - Université Toulouse III

hal-00836645v1 Journal articles
Claudia Pereira, Colin Marsden, Joaquim Marçalo, John Gibson. Actinide sulfides in the gas phase: experimental and theoretical studies of the thermochemistry of AnS (An = Ac, Th, Pa, U, Np, Pu, Am and Cm)
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2011, 13 (28), pp.12940-12958. ⟨10.1039/C1CP20996E⟩

hal-00950368v1 Journal articles
Lester Andrews, Xuefeng Wang, Roland Lindh, Bjoern Roos, Colin Marsden. Simple N UF3 and P UF3 molecules with triple bonds to uranium
Angewandte Chemie International Edition, Wiley-VCH Verlag, 2008, 47 (29), pp.5366-5370. ⟨10.1002/anie.200801120⟩

hal-00836824v1 Journal articles
Xuefeng Wang, Lester Andrews, Colin Marsden. Infrared Spectra and Density Functional Calculations of the SUO2 Molecule
Inorganic Chemistry, American Chemical Society, 2009, 48 (14), pp.6888-6895. ⟨10.1021/ic900869f⟩

hal-00952031v1 Journal articles
Nathalie Tarrat, Colin Marsden. Examining the Performance of DFT Methods in Uranium chemistry : does Core Size Matter for a Pseudopotential ?
Journal of Physical Chemistry A, American Chemical Society, 2008, 112 (33), pp.7632-7642. ⟨10.1021/jp801124u⟩

hal-00971765v1 Journal articles
Xuefeng Wang, Lester Andrews, Colin Marsden. Infrared Spectrum and Structure of Thorimine (HN=ThH2)
Chemistry - A European Journal, Wiley-VCH Verlag, 2007, 13 (19), pp.5601-5606. ⟨10.1002/chem.200700183⟩

hal-00951616v1 Journal articles
Nathalie Tarrat, Barros Noémi, Colin Marsden, Laurent Maron. Linear Uranium Complexes X2UL5 with L=Cyanide, Isocyanate: DFT Evidence for Similarities between Uranyl (X=O) and Uranocene (X=Cp) Derivatives
Chemistry - A European Journal, Wiley-VCH Verlag, 2008, 14 (7), pp.2093-2099. ⟨10.1002/chem.200701511⟩

hal-00951059v1 Journal articles
Xuefeng Wang, Lester Andrews, Colin Marsden. Reactions of Uranium Atoms with Ammonia: Infrared Spectra and Quasi-Relativistic Calculations of the U:NH3, H2N-UH, and HN=UH2 Complexes
Chemistry - A European Journal, Wiley-VCH Verlag, 2008, 14 (30), pp.9192-9201. ⟨10.1002/chem.200800875⟩

hal-00975786v1 Journal articles
Pierre Vitorge, Vannapha Phrommavanh, Bertrand Siboulet, Dominique You, Thomas Vercouter et al. Estimating the stabilities of actinide aqueous species. Influence of sulfoxy-anions on uranium(IV) geochemistry and discussion of Pa(V) first hydrolysis
Comptes Rendus Chimie, Elsevier Masson, 2007, 10 (10-11), pp.978-993. ⟨10.1016/j.crci.2007.04.015⟩

hal-00836863v1 Book sections
Pierre Vitorge, Bertrand Siboulet, Colin Marsden, Thomas Vercoute. The Use of Models to Understand the Aqueous Chemistry of Uranium
Gerhardt H. Wolfe. Uranium: Compounds, Isotopes and Applications, Nova publishers, pp.241-285, 2009, 978-1-60692-573-7

hal-00950307v1 Journal articles
Bertrand Siboulet, Colin Marsden, Pierre Vitorge. What can quantum chemistry tell us about Pa(V) hydration and hydrolysis?
New Journal of Chemistry, Royal Society of Chemistry, 2008, 32, pp.2080-2094. ⟨10.1039/B806407E⟩

hal-00003399v1 Journal articles
Colin Marsden, Carine Clavaguéra, Valérie Vallet, Daniel Maynau. Can DFT Methods be used for Open-shell Actinide Molecules? Comparisons with Multi-configurational Studies including Spin-orbit Coupling of Two Iso-electronic Systems: PuO22+ and PuN2
Journal of Chemical Physics, American Institute of Physics, 2004, 121, pp.5312

hal-00760023v1 Journal articles
Alexandre Quemet, René Brennetot, Jean-Yves Salpin, Alvaro Cimas, Colin Marsden et al. How can f-block mono-cations behave as Mono-Cations of d-block transition metals ?
European Journal of Inorganic Chemistry, Wiley-VCH Verlag, 2012, 2012 (22), pp.3551-3555. ⟨10.1002/ejic.201200455⟩

hal-00836846v1 Journal articles
Baptiste Joalland, Aude Simon, Colin Marsden, Christine Joblin. Signature of [SiPAH]+ pi-complexes in the interstellar medium
Astronomy and Astrophysics - A&A, EDP Sciences, 2009, 494 (3), pp.969 - 976. ⟨10.1051/0004-6361:200810863⟩

hal-00843706v1 Journal articles
Baptiste Joalland, Mathias Rapacioli, Aude Simon, Christine Joblin, Colin Marsden et al. Molecular Dynamics Simulations of Anharmonic Infrared Spectra of [SiPAH]+ π-Complexes
Journal of Physical Chemistry A, American Chemical Society, 2010, 114 (18), pp.5846-5854. ⟨10.1021/jp911526n⟩

hal-00838539v1 Journal articles
Fabienne Alary, Martial Boggio-Pasqua, Jean-Louis Heully, Colin Marsden, Patricia Vicendo. Theoretical characterization of the lowest triplet excited states of the tris-(1,4,5,8-tetraazaphenanthrene) ruthenium dication complex.
Inorganic Chemistry, American Chemical Society, 2008, 47 (12), pp.5259-66. ⟨10.1021/ic800246t⟩

hal-00796104v1 Journal articles
Alexandre Quemet, Pierre Vitorge, Alvaro Cimas, Shengsi Liu, Jean-Yves Salpin et al. Reactivity of Lanthanoid Mono-Cations with Ammonia : a Combined Inductively Coupled Plasma Mass Spectrometry and Computational Investigation
International Journal of Mass Spectrometry, Elsevier, 2013, 334, pp.27-37. ⟨10.1016/j.ijms.2012.10.005⟩

hal-00094561v1 Journal articles
Carine Clavaguéra, V. Brenner, Sophie Hoyau, Colin Marsden, P. Millie et al. Modeling of uranyl cation-water clusters
Journal of Physical Chemistry B, American Chemical Society, 2003, 107, pp.3051-3060. ⟨10.1021/jp0273833⟩

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