Ciencia computacional de materiales
University of Minnesota
Mineápolis, Estados UnidosPublicaciones en colaboración con investigadores/as de University of Minnesota (9)
2015
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Quantum chemical calculations and experimental investigations of molecular actinide oxides
Chemical Reviews, Vol. 115, Núm. 4, pp. 1725-1759
2013
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Theoretic study of the electronic spectra of neutral and cationic PaO and PaO2
Structural Chemistry, Vol. 24, Núm. 3, pp. 917-925
2011
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How accurate are electronic structure methods for actinoid chemistry?
Theoretical Chemistry Accounts, Vol. 129, Núm. 3-5, pp. 657-666
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On the nature of actinide- and lanthanide-metal bonds in heterobimetallic compounds
Chemistry - A European Journal, Vol. 17, Núm. 30, pp. 8424-8433
2010
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Equilibrium mercury isotope fractionation between dissolved Hg(II) species and thiol-bound Hg
Environmental Science and Technology, Vol. 44, Núm. 11, pp. 4191-4197
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Ionization energies for the actinide mono- and dioxides series, from Th to Cm: Theory versus experiment
Journal of Physical Chemistry A, Vol. 114, Núm. 19, pp. 6007-6015
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Noble gas matrices may change the electronic structure of trapped molecules: The UO2(Ng)4 [Ng = Ne, Ar] case
Chemistry - A European Journal, Vol. 16, Núm. 43, pp. 12804-12807
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U and P4 reaction products: A quantum chemical and matrix isolation spectroscopic investigation
Inorganic Chemistry, Vol. 49, Núm. 20, pp. 9230-9235
2009
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Matrix infrared spectroscopic and computational investigation of late lanthanide metal hydride species MHx(H2)y (M = Tb-Lu, x = 1-4, y = 0-3)
Journal of Physical Chemistry A, Vol. 113, Núm. 45, pp. 12566-12572