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Non-planarity in four-membered homo-cyclic compounds A4 (A = O, S, Se, Te, Po) and restoring their planarity: a study of the pseudo-Jahn–Teller effect Ali Reza Ilkhani Regular Article 02 June 2020 Article: 99
Mechanism of hydrogen generation on stable Mo-edge of 2H-MoS2 in water from density functional theory Yan-Xia HanChao KongPen-Ji Yan Regular Article 02 June 2020 Article: 98
Radiative association of P and Cl atoms Carmen Maria AndreazzaAmaury Augusto de AlmeidaAntonio Carlos Borin Regular Article 30 May 2020 Article: 97
Carboxymethylcellulose and cellulose xanthate matrices as potential adsorbent material for potentially toxic Cr3+, Cu2+ and Cd2+metal ions: a theoretical study Davi Texeira ReisSílvio Quintino de Aguiar FilhoDouglas Henrique Pereira Regular Article 25 May 2020 Article: 96
Bonding analysis of the effect of strain on trigger bonds in organic-cage energetic materials Craig A. BayseMohammad Jaffar Regular Article 22 May 2020 Article: 95
Rate rules for hydrogen abstraction reaction kinetics of polycyclic aromatic hydrocarbons and vinyl radical Xiao-Mei CaoZe-Rong LiXiang-Yuan Li Regular Article 22 May 2020 Article: 94
A DFT and wave function theory study of hydrogen adsorption on small beryllium oxide clusters Orlando Roberto-NetoEdson Firmino Viana de Carvalho Regular Article 18 May 2020 Article: 93
