Ciencia computacional de materiales
University of Virginia
Charlottesville, Estados UnidosPublicaciones en colaboración con investigadores/as de University of Virginia (7)
2011
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Matrix infrared spectroscopy and a theoretical investigation of SUO and US2
European Journal of Inorganic Chemistry, pp. 4457-4463
2010
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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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Binding motifs for lanthanide hydrides: A combined experimental and theoretical study of the MH x(H 2) y species (M = La-Gd; x = 1-4; y = 0-6)
Journal of Physical Chemistry A, Vol. 113, Núm. 11, pp. 2446-2455
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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
2008
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Infrared spectra of the WH4(H2)4 complex in solid hydrogen
Journal of the American Chemical Society, Vol. 130, Núm. 6, pp. 1972-1978
2007
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Experimental and theoretical evidence for U(C 6H 6) and Th(C 6H 6) complexes
Journal of Physical Chemistry A, Vol. 111, Núm. 47, pp. 11996-12000