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Research Output 1990 2017

Catalytic Oxidation of Water with High-Spin Iron(IV)-Oxo Species: Role of the Water Solvent

Bernasconi, L., Kazaryan, A., Belanzoni, P. & Baerends, E. J. 8 May 2017 In : ACS Catalysis. 7, 6, p. 4018-4025 8 p.

Research output: Scientific - peer-reviewArticle

From the Kohn-Sham band gap to the fundamental gap in solids. An integer electron approach

Baerends, E. J. 5 Jun 2017 In : Physical Chemistry Chemical Physics. 19, 24, p. 15639-15656 18 p.

Research output: Scientific - peer-reviewReview article

Asymptotic behavior of the electron density and the Kohn-Sham potential in case of a Kohn-Sham HOMO nodal plane

Gori-Giorgi, P., Gal, T. & Baerends, E. J. 27 Jan 2016 In : Molecular Physics. 114, 7-8, p. 1086-1097

Research output: Scientific - peer-reviewArticle

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