1. The formation of formaldehyde via the carbon monoxide hydrogenation catalyzed by the HSbF₆ superacid

   • Olimpia Rybacka
   • Marcin Czapla
   • Piotr Skurski

   Regular Article 14 November 2017 Article: 140

   

2. Revealing strong interactions with the reduced density gradient: a benchmark for covalent, ionic and charge-shift bonds

   • Roberto A. Boto
   • Jean-Philip Piquemal
   • Julia Contreras-García

   Regular Article 13 November 2017 Article: 139

   

3. One- and multiconfigurational study of excited states of He atom in a small impenetrable cavity

   • Vladimir I. Pupyshev
   • H. E. Montgomery Jr.

   Regular Article 10 November 2017 Article: 138

   

4. Impact of substitution and self-aggregation on photoelectric and charge transfer characteristics in JD21 analogues

   • Li-Na Yang
   • Zhen-Jiang Li

   Regular Article 09 November 2017 Article: 137

   

5. Theoretical exploration of gas-phase conformers of proton-bound non-covalent heterodimers of guanine and cytosine rare tautomers: structures and energies

   • Jinhyun Jun
   • Sang Yun Han

   Regular Article 08 November 2017 Article: 136

   

6. The HSAB principle from a finite-temperature grand-canonical perspective

   • Ramón Alain Miranda-Quintana
   • Taewon David Kim
   • Paul W. Ayers

   Regular Article 08 November 2017 Article: 135

7. Reversible adsorption/desorption of the formaldehyde molecule on transition metal doped graphene by controlling the external electric field: first-principles study

   • Tong Zhang
   • Hao Sun
   • Jingping Zhang

   Regular Article 07 November 2017 Article: 134

   

8. Toward a quantitative evaluation of the strength of Cp₂M···η ²–borate interactions

   • Jingwen Zhu
   • Emilie-Laure Zins
   • Mohammad Esmaïl Alikhani

   Regular Article 06 November 2017 Article: 133