Alain Chaumont - Publications

Affiliations: 
Université Louis Pasteur (Strasbourg) 

19 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2017 Jiménez-Lozano P, Solé-Daura A, Wipff G, Poblet JM, Chaumont A, Carbó JJ. Assembly Mechanism of Zr-Containing and Other TM-Containing Polyoxometalates. Inorganic Chemistry. PMID 28318233 DOI: 10.1021/acs.inorgchem.7b00096  0.64
2016 Capdevila-Cortada M, Ribas-Arino J, Chaumont A, Wipff G, Novoa JJ. Formation of Long, Multicenter π-[TCNE]2(2-) Dimers in Solution: Solvation and Stability Assessed through Molecular Dynamics Simulations. Chemistry (Weinheim An Der Bergstrasse, Germany). 22: 17037-17046. PMID 27727476 DOI: 10.1002/chem.201603537  0.64
2014 Millot C, Chaumont A, Engler E, Wipff G. Distributed polarizability models for imidazolium-based ionic liquids. The Journal of Physical Chemistry. A. 118: 8842-51. PMID 25133873 DOI: 10.1021/jp505539y  0.64
2014 Jiménez-Lozano P, Carbó JJ, Chaumont A, Poblet JM, Rodríguez-Fortea A, Wipff G. Nature of Zr-monosubstituted monomeric and dimeric polyoxometalates in water solution at different pH conditions: static density functional theory calculations and dynamic simulations. Inorganic Chemistry. 53: 778-86. PMID 24364825 DOI: 10.1021/ic401999r  0.64
2012 Bühl M, Sieffert N, Partouche A, Chaumont A, Wipff G. Speciation of La(III) chloride complexes in water and acetonitrile: a density functional study. Inorganic Chemistry. 51: 13396-407. PMID 23181554 DOI: 10.1021/ic302255a  0.64
2012 Chaumont A, Wipff G. Bromide complexation by the Eu(III) lanthanide cation in dry and humid ionic liquids: a molecular dynamics PMF study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 1677-86. PMID 22556119 DOI: 10.1002/cphc.201200063  0.64
2012 Chaumont A, Klimchuk O, Gaillard C, Billard I, Ouadi A, Hennig C, Wipff G. Perrhenate complexation by uranyl in traditional solvents and in ionic liquids: a joint molecular dynamics/spectroscopic study. The Journal of Physical Chemistry. B. 116: 3205-19. PMID 22329618 DOI: 10.1021/jp209476h  0.64
2012 Bühl M, Sieffert N, Chaumont A, Wipff G. Water versus acetonitrile coordination to uranyl. Effect of chloride ligands. Inorganic Chemistry. 51: 1943-52. PMID 22233256 DOI: 10.1021/ic202270u  0.64
2011 Bühl M, Sieffert N, Chaumont A, Wipff G. Water versus acetonitrile coordination to uranyl. Density functional study of cooperative polarization effects in solution. Inorganic Chemistry. 50: 299-308. PMID 21126026 DOI: 10.1021/ic101950d  0.64
2008 Chaumont A, Wipff G. Ion aggregation in concentrated aqueous and methanol solutions of polyoxometallates Keggin anions: the effect of counterions investigated by molecular dynamics simulations. Physical Chemistry Chemical Physics : Pccp. 10: 6940-53. PMID 19030589 DOI: 10.1039/b810440a  0.64
2008 Chaumont A, Wipff G. Chloride complexation by uranyl in a room temperature ionic liquid. A computational study. The Journal of Physical Chemistry. B. 112: 12014-23. PMID 18754633 DOI: 10.1021/jp8031447  0.64
2006 Chaumont A, Wipff G. Solvation of uranyl-CMPO complexes in dry vs. humid forms of the [BMI][PF6] ionic liquid. A molecular dynamics study. Physical Chemistry Chemical Physics : Pccp. 8: 494-502. PMID 16482292 DOI: 10.1039/b512277e  0.64
2005 Bühl M, Chaumont A, Schurhammer R, Wipff G. Ab initio molecular dynamics of liquid 1,3-dimethylimidazolium chloride. The Journal of Physical Chemistry. B. 109: 18591-9. PMID 16853393 DOI: 10.1021/jp0518299  0.64
2005 Gaillard C, Billard I, Chaumont A, Mekki S, Ouadi A, Denecke MA, Moutiers G, Wipff G. Europium(III) and its halides in anhydrous room-temperature imidazolium-based ionic liquids: a combined TRES, EXAFS, and molecular dynamics study. Inorganic Chemistry. 44: 8355-67. PMID 16270974 DOI: 10.1021/ic051055a  0.64
2004 Chaumont A, Wipff G. Solvation of uranyl(II) and europium(III) cations and their chloro complexes in a room-temperature ionic liquid. A theoretical study of the effect of solvent "humidity". Inorganic Chemistry. 43: 5891-901. PMID 15360238 DOI: 10.1021/ic049386v  0.64
2004 Chaumont A, Wipff G. Solvation of uranyl(II), europium(III) and europium(II) cations in "basic" room-temperature ionic liquids: a theoretical study. Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 3919-30. PMID 15317055 DOI: 10.1002/chem.200400207  0.64
2003 Chaumont A, Engler E, Wipff G. Uranyl and strontium salt solvation in room-temperature ionic liquids. A molecular dynamics investigation. Inorganic Chemistry. 42: 5348-56. PMID 12924907 DOI: 10.1021/ic034281y  0.64
2003 Chaumont A, Engler E, Wipff G. Halide anion capture and recognition by a tetrahedral tetraammonium receptor in water: a molecular dynamics investigation. Chemistry (Weinheim An Der Bergstrasse, Germany). 9: 635-43. PMID 12569455 DOI: 10.1002/chem.200390068  0.64
2002 Chaumont A, Wipff G. Macrotricyclic quaternary tetraammonium receptors: halide anion recognition and interfacial activity at an aqueous interface. A molecular dynamics investigation. Journal of Computational Chemistry. 23: 1532-43. PMID 12395422 DOI: 10.1002/jcc.10099  0.64
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