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Now showing items 1-10 of 13

Artículo

Should negative electron affinities be used for evaluating the chemical hardness?

Cárdenas, Carlos; Ayers, Paul; De Proft, Frank; Tozer, David J.; Geerlings, Paul (2011)

Artículo

Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111)

Miranda Rojas, Sebastián; Muñoz Castro, Alvaro; Arratia Pérez, Ramiro; Mendizábal Emaldía, Fernando (2013)

Artículo

Alternation of aromatic-nonaromatic rings in belt-like structures. The behavior of [6.8]

Camacho Gonzalez, J.; Muñoz-Castro, A. (Royal Society of Chemistry, 2015)

Artículo

Electronic excitations of C 60 aggregates

Montero Alejo, Ana; Menéndez Proupin, Eduardo; Fuentes, M. E.; Delgado, A.; Montforts, F. P.; Montero Cabrera, Luis; García de la Vega, José M. (2012)

Artículo

Theoretical study on interactions of fluorinated organomercurials with arene and gold fragments

Mendizábal Emaldía, Fernando; Miranda Rojas, Sebastián; Barrientos Poblete, Lorena (Royal Society of Chemistry, 2015)

Artículo

Solvent effects in ionic liquids: Empirical linear energy-density relationships

Cerda Monje, Andrea; Aizman, Arie; Tapia, R. A.; Chiappe, C.; Contreras Ramos, Renato (2012)

Artículo

Octahedral complexes of the series of actinides hexafluorides AnF 6

Pérez Villa, Andrea; David, Jorge; Fuentealba Rosas, Patricio; Restrepo, Albeiro (Elsevier B.V., 2011)

Artículo

Calculations of the light absorption spectra of porphyrinoid chromophores for dye-sensitized solar cells

Mera Adasme, Raúl; Xu, Wen Hua; Sundholm, Dage; Mendizábal Emaldía, Fernando (Royal Society of Chemistry, 2016)

Artículo

How reliable is the hard-soft acid-base principle? An assessment from numerical simulations of electron transfer energies

Cárdenas, Carlos; Ayers, Paul W. (2013)

Artículo

Theoretical study of the protonation of [Pt3(μ-L) 3(L′)3] (L = CO, SO2, CNH; L′ = PH3, CNH)

Mendizábal Emaldía, Fernando; Donoso, Daniela; Burgos, Darwin (2011)

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