1. Embedding quantum systems with a non-conserved probability in classical environments

   • Alessandro Sergi

   Regular Article 10 June 2015 Article: 79

   

2. Electric properties of the low-lying excited states of benzonitrile: geometry relaxation and solvent effects

   • Miroslav Medveď
   • Šimon Budzák
   • Tadeusz Pluta

   Regular Article 28 May 2015 Article: 78

   

3. Non-covalent attraction of B₂N^(−,0) and repulsion of B₂N⁽⁺⁾ in the B _n N _n ring: a quantum rotatory due to an external field

   • Majid Monajjemi

   Regular Article 23 May 2015 Article: 77

   

4. Choosing an atomic basis set for TD-DFT, SOPPA, ADC(2), CIS(D), CC2 and EOM-CCSD calculations of low-lying excited states of organic dyes

   • Adèle D. Laurent
   • Aymeric Blondel
   • Denis Jacquemin

   Regular Article 20 May 2015 Article: 76

   

5. Insight into the catalytic activity for a series of synthesized and newly designed phosphonium-based ionic liquids on the fixation of carbon dioxide

   • Li Wang
   • Ping Li
   • Jinglai Zhang

   Regular Article 20 May 2015 Article: 75

   

6. Unconventional bond functions for quantum chemical calculations

   • Dávid Mester
   • József Csontos
   • Mihály Kállay

   Regular Article 15 May 2015 Article: 74

7. Theoretical study of dibenzyl disulfide adsorption on Cu₇ cluster as a first approximation to sulfur-induced copper corrosion process

   • Mario Saavedra-Torres
   • Pablo Jaque
   • Juan C. Santos

   Regular Article 14 May 2015 Article: 73

   

8. Optoelectronic property analysis of MCrO₄ (M = Ba, Sr) with a response to visible light irradiation

   • C. Tablero

   Regular Article 12 May 2015 Article: 72