1. A computational study on phenibut lactamization mechanism and the pH effects on the process

   • Saba Hadidi
   • Farshad Shiri
   • Mohammadsaleh Norouzibazaz

   Regular Article 01 June 2020 Article: 100

   

2. 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

   

3. Mechanism of hydrogen generation on stable Mo-edge of 2H-MoS₂ in water from density functional theory

   • Yan-Xia Han
   • Chao Kong
   • Pen-Ji Yan

   Regular Article 02 June 2020 Article: 98

   

4. Radiative association of P and Cl atoms

   • Carmen Maria Andreazza
   • Amaury Augusto de Almeida
   • Antonio Carlos Borin

   Regular Article 30 May 2020 Article: 97

   

5. Carboxymethylcellulose and cellulose xanthate matrices as potential adsorbent material for potentially toxic Cr³⁺, Cu²⁺ and Cd²⁺metal ions: a theoretical study

   • Davi Texeira Reis
   • Sílvio Quintino de Aguiar Filho
   • Douglas Henrique Pereira

   Regular Article 25 May 2020 Article: 96

   

6. Bonding analysis of the effect of strain on trigger bonds in organic-cage energetic materials

   • Craig A. Bayse
   • Mohammad Jaffar

   Regular Article 22 May 2020 Article: 95

   

7. Rate rules for hydrogen abstraction reaction kinetics of polycyclic aromatic hydrocarbons and vinyl radical

   • Xiao-Mei Cao
   • Ze-Rong Li
   • Xiang-Yuan Li

   Regular Article 22 May 2020 Article: 94

   

8. A DFT and wave function theory study of hydrogen adsorption on small beryllium oxide clusters

   • Orlando Roberto-Neto
   • Edson Firmino Viana de Carvalho

   Regular Article 18 May 2020 Article: 93