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Promethium-doped silicon clusters PmSi n (n = 3–10) and their anions: structures, thermochemistry, electron affinities and magnetic moments Shuang HeJucai Yang Regular Article 04 August 2017 Article: 93
Fuzzy atoms in molecules from Bregman divergences Farnaz Heidar-ZadehPaul W. Ayers Letter 01 August 2017 Article: 92
Modelization of the \(\hbox {H}_{2}\) adsorption on graphene and molecular dynamics simulation N. Faginas-LagoMd Bin YeaminAlfredo Sánchez de Merás Regular Article 01 August 2017 Article: 91
Boron-/Fe-codoped graphene as high-activity single-atom catalyst Xiaonan WangHaiyan ZhouHaishun Wu Regular Article 25 July 2017 Article: 90
Theoretical investigation of the action mechanisms of N,N-di-alkylated diarylamine antioxidants M. ToscanoA. G. RitaccaN. Russo Regular Article 22 July 2017 Article: 89
Dispersion corrections applied to the TCA family of exchange-correlation functionals Eduardo FabianoPietro Cortona Regular Article 13 July 2017 Article: 88
Properties of hydrogen bonds in the protic ionic liquid ethylammonium nitrate Tobias ZentelOliver Kühn Regular Article 13 July 2017 Article: 87